Geometry & MOs

Info

ID:	329420
PubChem CID:	126736515
Reduced:	S3O9C15H28 (1)
Stoich.:	A3B9C15D28 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-423.42
Dipole, Da:	3.72
IP(EA), eV:	-9.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CO)(CO)CO.C(CS[C@H](CSC(CS)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations