Geometry & MOs

Info

ID:	20378
PubChem CID:	583459
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	2.98
IP(EA), eV:	-9.02(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,6-trimethylphenyl)butan-2-one

Drug info:

PubChemData

Smile

CCC(=O)CC1=C(C=CC(=C1C)C)C

DOS

IR

Vibrations