Geometry & MOs

Info

ID:	338640
PubChem CID:	127259651
Reduced:	N3O5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	6.38
IP(EA), eV:	-9.65(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-cyano-3-ethoxyprop-2-enoyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)NCC(=O)N

DOS

IR

Vibrations