Geometry & MOs

Info

ID:	253846
PubChem CID:	103121077
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	14.12
Dipole, Da:	5.43
IP(EA), eV:	-9.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxypropylamino)ethyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC/C=C/CN

DOS

IR

Vibrations