Geometry & MOs

Info

ID:	338639
PubChem CID:	127259650
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	315.085521
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	4.3
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1OC)OC)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations