Geometry & MOs

Info

ID:	17380
PubChem CID:	494740
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	3.76
IP(EA), eV:	-9.55(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-hydroxypropan-2-yl)tricyclo[4.4.1.01,6]undecan-2-one

Drug info:

PubChemData

Smile

CC(C)(C1CCC23CCCC(=O)C2(C1)C3)O

DOS

IR

Vibrations