Geometry & MOs

Info

ID:	58106
PubChem CID:	24424085
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	43.83
Dipole, Da:	4.45
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyphenyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations