Geometry & MOs

Info

ID:	337414
PubChem CID:	127257099
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	293.021875
ΔH_f, kcal/mol:	-34.13
Dipole, Da:	5.97
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-yl triazolo[4,5-b]pyridin-3-yl sulfate

Drug info:

PubChemData

Smile

C1[C@@H]2CON([C@@H]2C(=O)O1)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations