Geometry & MOs

Info

ID:	167648
PubChem CID:	74851954
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	33.55
Dipole, Da:	6.58
IP(EA), eV:	-8.67(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-diethoxyphenyl)-N-(1-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NN2CCN(CC2)C)C)[N+](=O)[O-]

DOS

IR

Vibrations