Geometry & MOs

Info

ID:	275350
PubChem CID:	103815366
Reduced:	NSO4C12H23 (1)
Stoich.:	ABC4D12E23 (1)
Weight, g/mol:	373.05565
ΔH_f, kcal/mol:	-200.57
Dipole, Da:	5.47
IP(EA), eV:	-8.95(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CCN1CCCC(C1)CC(=O)O

DOS

IR

Vibrations