Geometry & MOs

Info

ID:	411896
PubChem CID:	135084748
Reduced:	AuClN2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	162.115698
ΔH_f, kcal/mol:	71.89
Dipole, Da:	15.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835186
Charge, e:	0

Chem-info

IUPAC name:

2,5,8-trimethyl-3H-imidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(N2C1=CN([CH-]2)C)C.Cl[Au]

DOS

IR

Vibrations