Geometry & MOs

Info

ID:	275032
PubChem CID:	103813294
Reduced:	ClOSN3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	313.101561
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	1.2
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

DOS

IR

Vibrations