Geometry & MOs

Info

ID:	18371
PubChem CID:	539979
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	2.34
IP(EA), eV:	-9.25(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-hydroxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone

Drug info:

PubChemData

Smile

CC(=C)C=CC1C(CCC1(C(=O)C)O)(C)C

DOS

IR

Vibrations