Geometry & MOs

Info

ID:	384446
PubChem CID:	134977006
Reduced:	OS3H10C17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	394.156895
ΔH_f, kcal/mol:	94.1
Dipole, Da:	2.95
IP(EA), eV:	-9.06(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylphenyl)-2-(methoxymethyl)-4,5-diphenylcyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC(=C(C2=O)C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations