Geometry & MOs

Info

ID:	340518
PubChem CID:	127262529
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	252.071034
ΔH_f, kcal/mol:	71.37
Dipole, Da:	4.64
IP(EA), eV:	-8.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C\1=CNN/C1=C/2\C=C3C=CC=CC3=N2

DOS

IR

Vibrations