Geometry & MOs

Info

ID:	397517
PubChem CID:	135030324
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	200.118772
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	1.26
IP(EA), eV:	-9.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-4-ium

Drug info:

PubChemData

Smile

C1CC2[C@@H]([C@H](C(C1)(C2=O)O)C=O)C3=CC=CC=C3

DOS

IR

Vibrations