Geometry & MOs

Info

ID:	28064
PubChem CID:	825366
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	7.51
IP(EA), eV:	-9.48(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-1-hydroxy-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one

Drug info:

PubChemData

Smile

C[C@@]12CC3=C(C(=O)CC(C3)(C)C)[C@@](C1)(CC(C2)(C)C)O

DOS

IR

Vibrations