Geometry & MOs

Info

ID:	372923
PubChem CID:	131307093
Reduced:	BrFN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	4.73
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(pyridin-3-ylmethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1F)NC(=N2)Br

DOS

IR

Vibrations