Geometry & MOs

Info

ID:	394450
PubChem CID:	135023014
Reduced:	NH17C19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	393.195346
ΔH_f, kcal/mol:	77.13
Dipole, Da:	2.47
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-tert-butylphenyl)triazol-1-yl]phenyl]imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2N=C1C=C)C3=CC=CC=C3

DOS

IR

Vibrations