Geometry & MOs

Info

ID:	255139
PubChem CID:	103130274
Reduced:	ON3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	51.05
Dipole, Da:	6.16
IP(EA), eV:	-9.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-hydroxy-1-(1-methylpyrazol-3-yl)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations