Geometry & MOs

Info

ID:	154630
PubChem CID:	56314109
Reduced:	FO2N6C25H27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	415.144453
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	2.77
IP(EA), eV:	-8.73(-1.02)
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-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=NC=CC=N4

DOS

IR

Vibrations