Geometry & MOs

Info

ID:	238765
PubChem CID:	93165462
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	4.04
IP(EA), eV:	-8.77(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)[C@@H](C2=CC=CN2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations