Geometry & MOs

Info

ID:	238878
PubChem CID:	93165656
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	4.14
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-phenyl-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1[C@@H](C2=CC=CC=C2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations