Geometry & MOs

Info

ID:	184039
PubChem CID:	77103265
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	42.72
Dipole, Da:	7.26
IP(EA), eV:	-8.38(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-4-methyl-6-(propylamino)-5H-pyrimidin-2-ylidene]-2-chlorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2N=C(C(C(=N2)N)Br)C3CC3)C=C(C1=O)C

DOS

IR

Vibrations