Geometry & MOs

Info

ID:	40363
PubChem CID:	8143994
Reduced:	SN4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	78.05
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774544
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazole-2-thione

Drug info:

PubChemData

Smile

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations