Geometry & MOs

Info

ID:	54718
PubChem CID:	17389153
Reduced:	IPN2O2C27H32 (1)
Stoich.:	ABC2D2E27F32 (1)
Weight, g/mol:	354.01345
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	11.05
IP(EA), eV:	-6.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide;chloride

Drug info:

PubChemData

Smile

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5.[I-]

DOS

IR

Vibrations