Geometry & MOs

Info

ID:	49032
PubChem CID:	11528634
Reduced:	ClN2O2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	219.060804
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	1.92
IP(EA), eV:	-9.08(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-difluorophenyl)-2-methylpyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC=N1)CN2CCOCC2.Cl

DOS

IR

Vibrations