Geometry & MOs

Info

ID:	346143
PubChem CID:	127270631
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	1.25
IP(EA), eV:	-8.78(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)N2CCSCC2

DOS

IR

Vibrations