Geometry & MOs

Info

ID:	311922
PubChem CID:	126599398
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	358.03506
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	4.33
IP(EA), eV:	-8.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trimethyl-lambda4-sulfanyl)ethyl 6-bromo-3-methylindazole-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C(=NC(=C1)C)OCC2=CC=CC=C2)CN

DOS

IR

Vibrations