Geometry & MOs

Info

ID:	12993
PubChem CID:	219852
Reduced:	ON4C6H8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	152.069811
ΔH_f, kcal/mol:	25.35
Dipole, Da:	4.71
IP(EA), eV:	-9.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=NN(C(=C1C#N)N)CCO

DOS

IR

Vibrations