Geometry & MOs

Info

ID:	89811
PubChem CID:	49964802
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	4.92
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-7-oxo-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)N/C(=C\2/C(=O)C=C(OC2=O)C)/C)N

DOS

IR

Vibrations