Geometry & MOs

Info

ID:	156170
PubChem CID:	56369396
Reduced:	BrOCl2N4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	23.11
Dipole, Da:	2.78
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)Cl)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations