Geometry & MOs

Info

ID:	64962
PubChem CID:	29204259
Reduced:	OSN2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	54.72
Dipole, Da:	3.93
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-methoxynaphthalen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations