Geometry & MOs

Info

ID:	244672
PubChem CID:	99376346
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-142.87
Dipole, Da:	4.05
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-(3-bromophenoxy)acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3

DOS

IR

Vibrations