Geometry & MOs

Info

ID:	27377
PubChem CID:	821020
Reduced:	ClON2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	43.42
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.323952
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=[N+](C=C(C=C2)Cl)C=C1C3=CC=C(C=C3)C=O

DOS

IR

Vibrations