Geometry & MOs

Info

ID:	170192
PubChem CID:	75206008
Reduced:	FSN2O3H21C23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	3.18
IP(EA), eV:	-8.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C=CC2=CC=C(S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations