Geometry & MOs

Info

ID:	206305
PubChem CID:	80228299
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	1.16
Dipole, Da:	2.31
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NOC(=N2)CC(COC)NC

DOS

IR

Vibrations