Geometry & MOs

Info

ID:	370413
PubChem CID:	127338500
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	12.48
Dipole, Da:	5.7
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)N3CCCN(C4=CC=CC=C43)C

DOS

IR

Vibrations