Geometry & MOs

Info

ID:	127352
PubChem CID:	50999459
Reduced:	ClN2O2C5H7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	1.84
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations