Geometry & MOs

Info

ID:	443318
PubChem CID:	135258556
Reduced:	ClN2O3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	183.064391
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.71
IP(EA), eV:	-10.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E)-2-methyl-3-(nitrosomethylidene)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C=C1)/C(=N/O)/Cl

DOS

IR

Vibrations