Geometry & MOs

Info

ID:	377890
PubChem CID:	134223956
Reduced:	NOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	251.224915
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	2.66
IP(EA), eV:	-8.36(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,5,5-trimethyl-N-propan-2-yl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@]2(CC(CCC2C(C)C)(C)C)C)C

DOS

IR

Vibrations