Geometry & MOs

Info

ID:	323589
PubChem CID:	126675531
Reduced:	N8H20C21 (1)
Stoich.:	A8B20C21 (1)
Weight, g/mol:	382.165443
ΔH_f, kcal/mol:	171.7
Dipole, Da:	2.45
IP(EA), eV:	-8.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CN=CC=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations