Geometry & MOs

Info

ID:	157457
PubChem CID:	56430266
Reduced:	FNO4H18C23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	438.169191
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	6.84
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations