Geometry & MOs

Info

ID:	268113
PubChem CID:	103597927
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	3.27
IP(EA), eV:	-8.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations