Geometry & MOs

Info

ID:	44992
PubChem CID:	10507055
Reduced:	NBr2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	558.252832
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	1.95
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(4-chlorophenyl)-N-[4-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]amino]butyl]-1-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C=CC(=C2C1CC3=C(C=CC(=C3)OC)Br)OC(=O)C4=CC=CC=C4)Br

DOS

IR

Vibrations