Geometry & MOs

Info

ID:	310329
PubChem CID:	126578855
Reduced:	Br2N2O2C19H20 (1)
Stoich.:	A2B2C2D19E20 (1)
Weight, g/mol:	551.150925
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	0.97
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCOC2=C1C=C(C(=C2)CC3=CC4=C(C=C3Br)N(CCO4)C)Br

DOS

IR

Vibrations