Geometry & MOs

Info

ID:	154405
PubChem CID:	56313832
Reduced:	ClO2F3N4C17H18 (1)
Stoich.:	AB2C3D4E17F18 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-197.99
Dipole, Da:	5.37
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N(C)CC(=O)NC2=CC=CC=C2Cl)C(F)(F)F

DOS

IR

Vibrations