Geometry & MOs

Info

ID:	26904
PubChem CID:	803911
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	1.04
IP(EA), eV:	-8.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCCN2CCCC2)CC=C

DOS

IR

Vibrations