Geometry & MOs

Info

ID:	318119
PubChem CID:	126649028
Reduced:	O2F3N5H12C14 (1)
Stoich.:	A2B3C5D12E14 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	4.53
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC(F)(F)F)OC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations