Geometry & MOs

Info

ID:	162360
PubChem CID:	57394428
Reduced:	ION7C11H18 (1)
Stoich.:	ABC7D11E18 (1)
Weight, g/mol:	447.158292
ΔH_f, kcal/mol:	21.76
Dipole, Da:	1.65
IP(EA), eV:	-8.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=C(N=C1I)C(=O)N=C(N)N)N)C(C)C

DOS

IR

Vibrations