Geometry & MOs

Info

ID:	277046
PubChem CID:	103826429
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	368.97429
ΔH_f, kcal/mol:	-67.9
Dipole, Da:	5.4
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations