Geometry & MOs

Info

ID:	242196
PubChem CID:	96079571
Reduced:	FON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	2.0
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C2=CN=C(C=C2)N)O)F

DOS

IR

Vibrations