Geometry & MOs

Info

ID:	375162
PubChem CID:	131472732
Reduced:	O3N4C9H10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	222.07529
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	5.33
IP(EA), eV:	-9.58(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(N=N1)N2CCC(=O)C2

DOS

IR

Vibrations