Geometry & MOs

Info

ID:	248766
PubChem CID:	103084202
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	335.02694
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	2.86
IP(EA), eV:	-9.69(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-(4-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations