Geometry & MOs

Info

ID:	358136
PubChem CID:	127295681
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	2.44
IP(EA), eV:	-9.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations