Geometry & MOs

Info

ID:	324156
PubChem CID:	126677044
Reduced:	ON9H21C23 (1)
Stoich.:	AB9C21D23 (1)
Weight, g/mol:	405.202556
ΔH_f, kcal/mol:	150.35
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-2-(2-aminoethyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)C(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations