Geometry & MOs

Info

ID:	277082
PubChem CID:	103826635
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	7.72
IP(EA), eV:	-9.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CCNC(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations