Geometry & MOs

Info

ID:	80768
PubChem CID:	49836672
Reduced:	OBr2N2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	257.02895
ΔH_f, kcal/mol:	-41.95
Dipole, Da:	3.78
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-bromobutyl)pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1C(=O)N)CCCCBr.[Br-]

DOS

IR

Vibrations