Geometry & MOs

Info

ID:	350223
PubChem CID:	127277301
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	2.53
IP(EA), eV:	-8.85(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2CCN(C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations