Geometry & MOs

Info

ID:	307232
PubChem CID:	125292628
Reduced:	FNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	6.64
IP(EA), eV:	-9.94(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[[(3S)-5-hydroxy-3-methyl-3H-pyrazol-4-yl]-(2-methoxyphenyl)methyl]-3-methyl-3H-pyrazol-5-ol

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@@H]1C=C2C=CC(=CC2=NC1=O)F

DOS

IR

Vibrations