Geometry & MOs

Info

ID:	357880
PubChem CID:	127295380
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	2.14
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations