Geometry & MOs

Info

ID:	131434
PubChem CID:	51204550
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	3.09
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCCNC(=O)CC1=CSC(=N1)C2=CN=CC=C2

DOS

IR

Vibrations