Geometry & MOs

Info

ID:	348314
PubChem CID:	127273379
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	6.68
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations