Geometry & MOs

Info

ID:	358135
PubChem CID:	127295680
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-128.14
Dipole, Da:	3.64
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations