Geometry & MOs

Info

ID:	153787
PubChem CID:	56313098
Reduced:	F2O3N4H22C25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	446.136588
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	3.62
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations