Geometry & MOs

Info

ID:	85847
PubChem CID:	49879716
Reduced:	PN2O4H29C38 (1)
Stoich.:	AB2C4D29E38 (1)
Weight, g/mol:	315.04969
ΔH_f, kcal/mol:	54.31
Dipole, Da:	6.43
IP(EA), eV:	-7.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]pyridine;bromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC3=[N+](C4=CC=CC=C4N(C3=C(C2=O)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)[O-])[O-]

DOS

IR

Vibrations