Geometry & MOs

Info

ID:	441081
PubChem CID:	135233025
Reduced:	OC16H20 (2)
Stoich.:	AB16C20 (2)
Weight, g/mol:	418.157581
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	2.88
IP(EA), eV:	-8.52(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-ethanimidoyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(oxan-4-yl)quinolin-3-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C(=C/C(=C)C2=CC(=CC(=C2O)C3=C(CCC=C3)C(C)C)C(C)(C)C)/OC

DOS

IR

Vibrations