Geometry & MOs

Info

ID:	386981
PubChem CID:	134983584
Reduced:	SC19H22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	324.172545
ΔH_f, kcal/mol:	10.3
Dipole, Da:	2.71
IP(EA), eV:	-8.35(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-3-(3,5-dimethoxyphenyl)-2H-inden-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCC3=C(C(=CC(=C23)SC)C)C

DOS

IR

Vibrations