Geometry & MOs

Info

ID:	253594
PubChem CID:	103119457
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	6.96
IP(EA), eV:	-10.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate

Drug info:

PubChemData

Smile

CC(COC)N1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations