Geometry & MOs

Info

ID:	327890
PubChem CID:	126691247
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	55.46
Dipole, Da:	3.53
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-N-(2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl)butanediamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=CCC3Cl)C4=CC=CC=C4C(C2=O)N=[N+]=[N-]

DOS

IR

Vibrations