Geometry & MOs

Info

ID:	227887
PubChem CID:	87562861
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	292.97999
ΔH_f, kcal/mol:	72.71
Dipole, Da:	5.36
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-6-bromopyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1CN(C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations