Geometry & MOs

Info

ID:	443322
PubChem CID:	135258562
Reduced:	ClN3O3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	214.095357
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	5.52
IP(EA), eV:	-8.71(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-5-[hydroxy(methoxy)methyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1/C(=C(/N=O)\Cl)/C=C(N1)C(=O)OC

DOS

IR

Vibrations