Geometry & MOs

Info

ID:	325062
PubChem CID:	126679429
Reduced:	INOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	29.15
Dipole, Da:	3.52
IP(EA), eV:	-8.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-phenylmethoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)I)C2=CC=CO2

DOS

IR

Vibrations