Geometry & MOs

Info

ID:	214236
PubChem CID:	84974747
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	3.25
IP(EA), eV:	-8.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations