Geometry & MOs

Info

ID:	324538
PubChem CID:	126677855
Reduced:	ON2H22C36 (1)
Stoich.:	AB2C22D36 (1)
Weight, g/mol:	309.079665
ΔH_f, kcal/mol:	147.71
Dipole, Da:	1.56
IP(EA), eV:	-7.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)C9=CC=CC=C9O8

DOS

IR

Vibrations