Geometry & MOs

Info

ID:	181427
PubChem CID:	76745896
Reduced:	N3C90H92 (2)
Stoich.:	A3B90C92 (2)
Weight, g/mol:	1280.500242
ΔH_f, kcal/mol:	333.8
Dipole, Da:	3.52
IP(EA), eV:	-7.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCC1=CC(=CC=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4C5=CC=C(C=C5)NC6=CC=C(C=C6)C7=C(C=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)N(C9=CC=C(C=C9)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C1=C(C=CC(=C1)C(C)(C)C)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=C(C=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C1=C(C=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations