Geometry & MOs

Info

ID:	184040
PubChem CID:	77103266
Reduced:	BrClON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	15.75
Dipole, Da:	13.2
IP(EA), eV:	-8.41(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-5-bromo-6-tert-butyl-5H-pyrimidin-2-ylidene)-2-chlorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CC(=O)C(=C2)Cl)N=C(C1Br)C

DOS

IR

Vibrations