Geometry & MOs

Info

ID:	445407
PubChem CID:	135266904
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	340.121864
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	1.88
IP(EA), eV:	-8.52(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3Z)-2-imino-3-(phenylhydrazinylidene)butyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN1CCC2C3C2C(C1C3)O

DOS

IR

Vibrations