Geometry & MOs

Info

ID:	64955
PubChem CID:	29204248
Reduced:	ON3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	50.12
Dipole, Da:	5.12
IP(EA), eV:	-8.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C41

DOS

IR

Vibrations