Geometry & MOs

Info

ID:	206084
PubChem CID:	80200613
Reduced:	ClFON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	316.054547
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	3.78
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

CCN1C=NC=C1C(C2=C(C=C(C=C2)Cl)F)O

DOS

IR

Vibrations