Geometry & MOs

Info

ID:	398596
PubChem CID:	135034169
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	4.05
IP(EA), eV:	-8.31(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-9-one

Drug info:

PubChemData

Smile

CC1=C(OC(=O)CC1)CC/C(=C\CCC2=C3C(=CCC2)COC(O3)(C)C)/C

DOS

IR

Vibrations