Geometry & MOs

Info

ID:	324171
PubChem CID:	126677062
Reduced:	ON8C19H20 (1)
Stoich.:	AB8C19D20 (1)
Weight, g/mol:	374.160357
ΔH_f, kcal/mol:	135.94
Dipole, Da:	3.52
IP(EA), eV:	-8.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations