Geometry & MOs

Info

ID:	205679
PubChem CID:	80133205
Reduced:	ClFON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	4.49
IP(EA), eV:	-9.42(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(C2=C(N(N=C2C(C)C)C)Cl)O

DOS

IR

Vibrations