Geometry & MOs

Info

ID:	205570
PubChem CID:	80121349
Reduced:	NF2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-1,3-dimethylpyrazol-4-yl)-(3-methylsulfonylcyclohexyl)methanol

Drug info:

PubChemData

Smile

CCCNC1CC(C1)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations