Geometry & MOs

Info

ID:	377902
PubChem CID:	134223968
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	5.33
IP(EA), eV:	-10.51(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(C(C1)C(=O)O)C(C)(C)C)C

DOS

IR

Vibrations