Geometry & MOs

Info

ID:	324007
PubChem CID:	126676754
Reduced:	ON9C21H25 (1)
Stoich.:	AB9C21D25 (1)
Weight, g/mol:	436.212393
ΔH_f, kcal/mol:	111.07
Dipole, Da:	8.83
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN(C)CC(=O)NCC1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations