Geometry & MOs

Info

ID:	55759
PubChem CID:	17396447
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	367.057982
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	3.98
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations