Geometry & MOs

Info

ID:	323839
PubChem CID:	126676298
Reduced:	ON9C22H27 (1)
Stoich.:	AB9C22D27 (1)
Weight, g/mol:	444.213455
ΔH_f, kcal/mol:	74.85
Dipole, Da:	2.61
IP(EA), eV:	-8.26(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1)C(=O)C2=CC=C(C=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)N)N

DOS

IR

Vibrations