Geometry & MOs

Info

ID:	131700
PubChem CID:	51248083
Reduced:	O3N6C17H18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	41.05
Dipole, Da:	6.48
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

DOS

IR

Vibrations