Geometry & MOs

Info

ID:	318220
PubChem CID:	126649716
Reduced:	N7H15C19 (1)
Stoich.:	A7B15C19 (1)
Weight, g/mol:	415.131221
ΔH_f, kcal/mol:	177.98
Dipole, Da:	3.65
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations