Geometry & MOs

Info

ID:	398238
PubChem CID:	135032421
Reduced:	NOSH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	302.13068
ΔH_f, kcal/mol:	26.33
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067126
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(furan-2-yl)-3,5-diphenylpent-4-en-1-one

Drug info:

PubChemData

Smile

CC(=O)[N+]1=C(SC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations