Geometry & MOs

Info

ID:	15156
PubChem CID:	431249
Reduced:	NOH25C27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	379.193614
ΔH_f, kcal/mol:	48.86
Dipole, Da:	1.39
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-diethyl-10,11-diphenyl-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraen-12-one

Drug info:

PubChemData

Smile

CCC12C3=CC=CC=C3NC(C1=O)(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)CC

DOS

IR

Vibrations