Geometry & MOs

Info

ID:	206761
PubChem CID:	80296106
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-144.36
Dipole, Da:	3.97
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=CC=CC=C1NCC(CC)CCO

DOS

IR

Vibrations