Geometry & MOs

Info

ID:	40727
PubChem CID:	8144594
Reduced:	OSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	20.82
Dipole, Da:	4.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775065
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)imidazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN(C2=S)C[NH+]3CCOCC3)C

DOS

IR

Vibrations