Geometry & MOs

Info

ID:	268440
PubChem CID:	103599385
Reduced:	FO2N4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	409.19026
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	2.26
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-methylpyridin-3-yl)ethyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=CC=C2)NC(=O)NC3=CC=CC=C3F)C(=O)C=CC4=CC=NC=C4

DOS

IR

Vibrations