Geometry & MOs

Info

ID:	225581
PubChem CID:	85856248
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	238.033147
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	4.24
IP(EA), eV:	-10.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4,4-dimethyl-1H-imidazole-5-thione

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=CC)C=O

DOS

IR

Vibrations