Geometry & MOs

Info

ID:	296243
PubChem CID:	117562429
Reduced:	ClN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	12.76
Dipole, Da:	4.13
IP(EA), eV:	-8.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2CCC(CC2)C#N)Cl

DOS

IR

Vibrations