Geometry & MOs

Info

ID:	147133
PubChem CID:	53786786
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	375.110673
ΔH_f, kcal/mol:	-203.06
Dipole, Da:	8.86
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-acetyloxyphenyl)-3-(5-cyano-1-benzofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(C2=NC(=C3C(=C2C1)CC=C4N3C(=O)CC(=C4)C(=O)O)C(=O)O)O

DOS

IR

Vibrations