Geometry & MOs

Info

ID:	243986
PubChem CID:	99303125
Reduced:	ClN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	396.12125
ΔH_f, kcal/mol:	-151.8
Dipole, Da:	7.94
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluorophenyl)-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations