Geometry & MOs

Info

ID:	357886
PubChem CID:	127295386
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	6.12
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations