Geometry & MOs

Info

ID:	199051
PubChem CID:	79190782
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	2.63
IP(EA), eV:	-9.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(C1=CC=C(C=C1)C(C)(C)C)O)C

DOS

IR

Vibrations