Geometry & MOs

Info

ID:	300090
PubChem CID:	119526768
Reduced:	ClN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	2.68
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2CCOC3=CC=CC=C23)N.Cl

DOS

IR

Vibrations