Geometry & MOs

Info

ID:	232231
PubChem CID:	87575769
Reduced:	NOSC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	351.95266
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	5.14
IP(EA), eV:	-8.67(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]pyrimidine

Drug info:

PubChemData

Smile

CC#N.C(CCCCCO)CCCCCS

DOS

IR

Vibrations