Geometry & MOs

Info

ID:	318050
PubChem CID:	126648669
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	5.86
IP(EA), eV:	-9.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(3-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)C(=O)C2=CC(=CNC2=O)C(=O)NC3CCC3

DOS

IR

Vibrations