Geometry & MOs

Info

ID:	184162
PubChem CID:	77121135
Reduced:	BrN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	326.00885
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	7.51
IP(EA), eV:	-8.32(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C2NCC(C(=O)N2)Br)C=CC1=O

DOS

IR

Vibrations