Geometry & MOs

Info

ID:	165171
PubChem CID:	74511316
Reduced:	N4O6C10H11 (1)
Stoich.:	A4B6C10D11 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	4.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759089
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxy-3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=[N+](C(=O)N(C(=O)C2C(=O)C(C1=O)[N+](=O)[O-])C)C

DOS

IR

Vibrations