Geometry & MOs

Info

ID:	208210
PubChem CID:	80503626
Reduced:	ClNO4H8C13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	127.074562
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	4.2
IP(EA), eV:	-9.15(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NC(=CC(=C3)C(=O)O)Cl

DOS

IR

Vibrations