Geometry & MOs

Info

ID:	313150
PubChem CID:	126612257
Reduced:	NOH49C66 (1)
Stoich.:	ABC49D66 (1)
Weight, g/mol:	1119.444015
ΔH_f, kcal/mol:	194.71
Dipole, Da:	2.42
IP(EA), eV:	-7.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)OC6=C(N5C7=C(C=C(C=C7C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C=C(C=C6)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations