Geometry & MOs

Info

ID:	324949
PubChem CID:	126678894
Reduced:	ClO3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	390.120716
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	1.07
IP(EA), eV:	-9.0(-0.7)
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]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCO)C(=O)C2=CC(=C(C=C2)Cl)COC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations