Geometry & MOs

Info

ID:	401506
PubChem CID:	135051478
Reduced:	BrO2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	315.06226
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	1.87
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(E)-2-methylidene-4-phenylbut-3-enyl]pyridin-1-ium;bromide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C3=CC4=C(C=C3Br)OCO4)Br

DOS

IR

Vibrations