Geometry & MOs

Info

ID:	49200
PubChem CID:	11528904
Reduced:	NSC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	249.074956
ΔH_f, kcal/mol:	68.77
Dipole, Da:	4.9
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-nitroindazol-1-yl)ethyl acetate

Drug info:

PubChemData

Smile

CSC1=NC(=S)N(C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations