Geometry & MOs

Info

ID:	358137
PubChem CID:	127295682
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-103.71
Dipole, Da:	3.5
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations