Geometry & MOs

Info

ID:	64911
PubChem CID:	29204182
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	320.098334
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	2.57
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations