Geometry & MOs

Info

ID:	381783
PubChem CID:	134972612
Reduced:	ClOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-66.18
Dipole, Da:	2.84
IP(EA), eV:	-9.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]([C@@H](C(C)C)O)Cl

DOS

IR

Vibrations