Geometry & MOs

Info

ID:	126680
PubChem CID:	50973089
Reduced:	OSN3C24H27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	380.203468
ΔH_f, kcal/mol:	27.79
Dipole, Da:	3.65
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)CN2CCC(C2)C3=CC(=NC=C3)C4=CC(=CC=C4)C(=O)C

DOS

IR

Vibrations