Geometry & MOs

Info

ID:	40726
PubChem CID:	8144593
Reduced:	BrOSN4C13H15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	304.148359
ΔH_f, kcal/mol:	51.18
Dipole, Da:	7.07
IP(EA), eV:	-8.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N=C(N2)C3=CC=CC=C3Br

DOS

IR

Vibrations