Geometry & MOs

Info

ID:	374290
PubChem CID:	131326280
Reduced:	SO2N4C8H10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	4.52
IP(EA), eV:	-8.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1)C2=C(N(C(=O)N2)C)N

DOS

IR

Vibrations