Geometry & MOs

Info

ID:	227625
PubChem CID:	87562115
Reduced:	BrNC2O2H8 (1)
Stoich.:	ABC2D2E8 (1)
Weight, g/mol:	327.138992
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	1.1
IP(EA), eV:	-8.72(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC[NH+](O)O.[Br-]

DOS

IR

Vibrations