Geometry & MOs

Info

ID:	124801
PubChem CID:	50896601
Reduced:	F2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	224.016412
ΔH_f, kcal/mol:	-180.19
Dipole, Da:	7.76
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-1-(2,2-difluoroethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(F)F)C=O

DOS

IR

Vibrations