Geometry & MOs

Info

ID:	441085
PubChem CID:	135233031
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	457.204865
ΔH_f, kcal/mol:	31.67
Dipole, Da:	2.28
IP(EA), eV:	-8.25(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-dipropylquinolin-3-amine

Drug info:

PubChemData

Smile

C/C=C(/N)\N=C(/C)\C1=CC=C(C=C1)C

DOS

IR

Vibrations