Geometry & MOs

Info

ID:	245556
PubChem CID:	99453863
Reduced:	OF4N5H13C16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	379.13322
ΔH_f, kcal/mol:	-132.08
Dipole, Da:	1.93
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2C=CC(=N2)C(F)(F)F)C3=CC=CC=C3F

DOS

IR

Vibrations