Geometry & MOs

Info

ID:	22835
PubChem CID:	599054
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	3.01
IP(EA), eV:	-9.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-methylideneinden-1-one

Drug info:

PubChemData

Smile

CCC1C(=C)C2=CC=CC=C2C1=O

DOS

IR

Vibrations