Geometry & MOs

Info

ID:	384638
PubChem CID:	134977382
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	336.266445
ΔH_f, kcal/mol:	19.81
Dipole, Da:	2.36
IP(EA), eV:	-8.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1S,3R,6R)-3-[(1S)-1-hydroxyethyl]-1,3,6-trimethyl-2-prop-2-ynylcyclohexyl]-3-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CCC#CCCC=C

DOS

IR

Vibrations