Geometry & MOs

Info

ID:	372500
PubChem CID:	131298828
Reduced:	ClSN2O3C9H15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	7.24
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-aminopyridin-2-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCSCC1C(C(NC(=O)N1)C(=O)O)Cl

DOS

IR

Vibrations