Geometry & MOs

Info

ID:	323636
PubChem CID:	126675630
Reduced:	N9C19H19 (1)
Stoich.:	A9B19C19 (1)
Weight, g/mol:	371.160692
ΔH_f, kcal/mol:	187.09
Dipole, Da:	3.9
IP(EA), eV:	-8.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations