Geometry & MOs

Info

ID:	205678
PubChem CID:	80133142
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	296.109169
ΔH_f, kcal/mol:	-20.76
Dipole, Da:	2.79
IP(EA), eV:	-8.91(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations