Geometry & MOs

Info

ID:	37268
PubChem CID:	8019024
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	4.63
IP(EA), eV:	-9.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1-benzofuran-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)COC

DOS

IR

Vibrations