Geometry & MOs

Info

ID:	147002
PubChem CID:	53776999
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-101.67
Dipole, Da:	5.26
IP(EA), eV:	-9.49(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(methyl)amino]-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1C[C@H]2[C@@H]3CCC[C@]3(CC[C@@H]2[C@@]4([C@@H]1NC(=O)CC4)C)C

DOS

IR

Vibrations