Geometry & MOs

Info

ID:	238871
PubChem CID:	93165645
Reduced:	ClN2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	2.23
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-aminopiperidin-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](CN)C2=CC(=C(C(=C2)Cl)O)OC

DOS

IR

Vibrations