Geometry & MOs

Info

ID:	15696
PubChem CID:	447414
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	2.04
IP(EA), eV:	-9.73(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C[C@@]12C[C@H]([C@@H](C1(C)C)CC2=O)O

DOS

IR

Vibrations