Geometry & MOs

Info

ID:	141695
PubChem CID:	52918087
Reduced:	O3C21H32 (1)
Stoich.:	A3B21C32 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-163.12
Dipole, Da:	3.49
IP(EA), eV:	-9.78(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2CC[C@H](C3)C(=C)C4O)(C)C(=O)OC

DOS

IR

Vibrations