Geometry & MOs

Info

ID:	318218
PubChem CID:	126649674
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	406.186572
ΔH_f, kcal/mol:	23.96
Dipole, Da:	4.14
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-N-(1-hydroxypropan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)CC3=CC(=NC(=C3)N)N

DOS

IR

Vibrations