Geometry & MOs

Info

ID:	242197
PubChem CID:	96079573
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	3.19
IP(EA), eV:	-9.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)[C@@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations