Geometry & MOs

Info

ID:	30348
PubChem CID:	841176
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	7.29
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl]-phenylmethanone

Drug info:

PubChemData

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C[C@H](C(=O)NN=CC1=CC=CC=C1F)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations