Geometry & MOs

Info

ID:	238875
PubChem CID:	93165651
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	2.84
IP(EA), eV:	-8.43(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenyl-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@@H](C2=CC=C(C=C2)C)C(=O)N3CCNCC3

DOS

IR

Vibrations