Geometry & MOs

Info

ID:	248765
PubChem CID:	103084200
Reduced:	BrO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	321.01129
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	4.18
IP(EA), eV:	-9.76(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C(=N2)N)C(=O)O

DOS

IR

Vibrations