Geometry & MOs

Info

ID:	324977
PubChem CID:	126679011
Reduced:	ON4H30C50 (1)
Stoich.:	AB4C30D50 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	228.18
Dipole, Da:	4.07
IP(EA), eV:	-7.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7O6)C8=C(C=C4)N(C9=CC=CC=C98)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations