Geometry & MOs

Info

ID:	216036
PubChem CID:	85085613
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	2.82
IP(EA), eV:	-10.6(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-3-(1-phenylethyl)pent-4-en-2-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CC(=O)OCCO

DOS

IR

Vibrations