Geometry & MOs

Info

ID:	238762
PubChem CID:	93165458
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	3.57
IP(EA), eV:	-8.84(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1[C@@H](C2=CC=CN2)C(=O)N3CCNCC3

DOS

IR

Vibrations