Geometry & MOs

Info

ID:	238872
PubChem CID:	93165646
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	4.14
IP(EA), eV:	-9.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C2=CC=CC=C2)C(=O)N3CCC(CC3)N

DOS

IR

Vibrations