Geometry & MOs

Info

ID:	318113
PubChem CID:	126649006
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	318.063201
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	1.81
IP(EA), eV:	-10.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=C1)C(=O)N)C(=O)N

DOS

IR

Vibrations