Geometry & MOs

Info

ID:	229488
PubChem CID:	87567831
Reduced:	BrNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	617.33659
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	11.9
IP(EA), eV:	-8.47(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(dibenzylamino)-3-phenylpropyl] 4-[3-(2-aminoethyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC[N+]1(CCCC(=O)C1)CCCC.[Br-]

DOS

IR

Vibrations