Geometry & MOs

Info

ID:	248676
PubChem CID:	103083522
Reduced:	BrNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	263.98983
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	4.17
IP(EA), eV:	-9.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(S2)C(=O)O)CC(C)C

DOS

IR

Vibrations