Geometry & MOs

Info

ID:	314376
PubChem CID:	126621725
Reduced:	NH20C28 (2)
Stoich.:	AB20C28 (2)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	195.89
Dipole, Da:	1.74
IP(EA), eV:	-7.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)NC5=C4C=C6C=CC7=C(C6=C5)C(C8=CC=CC=C78)(C)C)C9=C1C1=CC2=C(C=C1C=C9)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations