Geometry & MOs

Info

ID:	340922
PubChem CID:	127263357
Reduced:	ClO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	146.02469
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	2.22
IP(EA), eV:	-9.59(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1H-pyrazole-3-carbaldehyde;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N=C1)C2CNC2.Cl

DOS

IR

Vibrations