Geometry & MOs

Info

ID:	155349
PubChem CID:	56352939
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.49
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[3-(3-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations