Geometry & MOs

Info

ID:	238761
PubChem CID:	93165456
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	2.07
IP(EA), eV:	-8.22(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](CN)C2=CC(=C(C(=C2)OC)O)CC=C

DOS

IR

Vibrations