Geometry & MOs

Info

ID:	17913
PubChem CID:	527189
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	3.87
IP(EA), eV:	-9.68(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-one

Drug info:

PubChemData

Smile

CC1CCC2C13CCC(=O)C(C3)C2(C)C

DOS

IR

Vibrations