Geometry & MOs

Info

ID:	35867
PubChem CID:	7980422
Reduced:	NO3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	7.72
IP(EA), eV:	-9.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations