Geometry & MOs

Info

ID:	293970
PubChem CID:	117420480
Reduced:	ClO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	-213.39
Dipole, Da:	2.21
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-2-(methoxymethyl)phenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2(CC2)O)C(F)(F)F

DOS

IR

Vibrations