Geometry & MOs

Info

ID:	248190
PubChem CID:	103079561
Reduced:	SN3C4H7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	215.072848
ΔH_f, kcal/mol:	52.2
Dipole, Da:	4.93
IP(EA), eV:	-8.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-amino-1-methylpyrazol-3-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=S)N1)N

DOS

IR

Vibrations