Geometry & MOs

Info

ID:	275031
PubChem CID:	103813273
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	327.117211
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	4.91
IP(EA), eV:	-8.64(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C(=O)[C@@H]2CCCCN2

DOS

IR

Vibrations