Geometry & MOs

Info

ID:	183277
PubChem CID:	77001239
Reduced:	ClNOC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	299.95681
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	4.01
IP(EA), eV:	-9.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)C2=CC(=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations