Geometry & MOs

Info

ID:	377891
PubChem CID:	134223957
Reduced:	NOC16H29 (1)
Stoich.:	ABC16D29 (1)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	3.08
IP(EA), eV:	-9.57(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxypropyl (1S)-1,2,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@]1(CC(CCC1C(=C)C)(C)C)C

DOS

IR

Vibrations