Geometry & MOs

Info

ID:	238804
PubChem CID:	93165531
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	3.79
IP(EA), eV:	-9.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3R)-3-methylpiperidin-1-yl]-1-piperazin-1-yl-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)[C@H](C(C)C)N(C)CCC1=CC=NC=C1

DOS

IR

Vibrations