Geometry & MOs

Info

ID:	394145
PubChem CID:	135022416
Reduced:	NOC10H16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	0.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756513
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-butyltriazol-1-yl)phenyl]-6-methylimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

C[N+]1=CC23CCCCC2CC1O3

DOS

IR

Vibrations