Geometry & MOs

Info

ID:	221358
PubChem CID:	85267834
Reduced:	ClO2H17C27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	407.9681
ΔH_f, kcal/mol:	31.83
Dipole, Da:	4.44
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=O)C=CC(=C(C3=CC=C(C=C3)Cl)C4=CC=C(C5=CC=CC=C54)O)C2=C1

DOS

IR

Vibrations