Geometry & MOs

Info

ID:	302506
PubChem CID:	124361993
Reduced:	OC13H24 (1)
Stoich.:	AB13C24 (1)
Weight, g/mol:	196.182715
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	2.47
IP(EA), eV:	-9.18(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(1R,2S)-1,2,4-trimethylcyclohex-3-en-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1C=C(CC[C@]1(C)CC[C@@H](C)O)C

DOS

IR

Vibrations