Geometry & MOs

Info

ID:	22475
PubChem CID:	597353
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	2.04
IP(EA), eV:	-9.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-3,3-dimethyl-2-(3-methylbutyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations