Geometry & MOs

Info

ID:	153768
PubChem CID:	56313079
Reduced:	N3O3F4H21C26 (1)
Stoich.:	A3B3C4D21E26 (1)
Weight, g/mol:	415.144453
ΔH_f, kcal/mol:	-213.41
Dipole, Da:	8.77
IP(EA), eV:	-9.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations