Geometry & MOs

Info

ID:	399107
PubChem CID:	135037827
Reduced:	CH2 (10)
Stoich.:	AB2 (10)
Weight, g/mol:	274.229666
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	0.1
IP(EA), eV:	-10.41(4.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-4-[2-[(1S,6R)-1-methyl-6-propan-2-ylcyclohex-3-en-1-yl]ethyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@@]1(CCCC(C1)C)C

DOS

IR

Vibrations