Geometry & MOs

Info

ID:	286570
PubChem CID:	104171085
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	257.073517
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	3.8
IP(EA), eV:	-9.2(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-6-amine

Drug info:

PubChemData

Smile

CC(CN1CC(=O)N2CCCC2C1=O)OC

DOS

IR

Vibrations