Geometry & MOs

Info

ID:	306451
PubChem CID:	125011770
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	5.49
Dipole, Da:	3.96
IP(EA), eV:	-9.27(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)[C@H]2CCCN(C2)C(=O)CCCN3C=CN=C3

DOS

IR

Vibrations