Geometry & MOs

Info

ID:	186699
PubChem CID:	77469031
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-14.05
Dipole, Da:	1.96
IP(EA), eV:	-9.36(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(pyridin-3-ylmethylsulfamoyl)cyclohexa-2,4-dien-1-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)C1CCC1)C=CCN

DOS

IR

Vibrations