Geometry & MOs

Info

ID:	350015
PubChem CID:	127276888
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	48.07
Dipole, Da:	3.99
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCN(C4=CC=CC=C4C3)C)C

DOS

IR

Vibrations