Geometry & MOs

Info

ID:	164482
PubChem CID:	74404421
Reduced:	BrPO5C17H24 (1)
Stoich.:	ABC5D17E24 (1)
Weight, g/mol:	588.310041
ΔH_f, kcal/mol:	-271.71
Dipole, Da:	1.13
IP(EA), eV:	-9.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C(=CC1=CC=C(C=C1)Br)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations