Geometry & MOs

Info

ID:	318202
PubChem CID:	126649541
Reduced:	ON9C22H25 (1)
Stoich.:	AB9C22D25 (1)
Weight, g/mol:	442.197805
ΔH_f, kcal/mol:	117.96
Dipole, Da:	7.73
IP(EA), eV:	-8.8(-0.85)
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-[2-(1H-imidazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations