Geometry & MOs

Info

ID:	27513
PubChem CID:	821739
Reduced:	NSC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	51.43
Dipole, Da:	1.18
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC=C2)CN

DOS

IR

Vibrations