Geometry & MOs

Info

ID:	248764
PubChem CID:	103084195
Reduced:	BrNSC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	306.99564
ΔH_f, kcal/mol:	34.07
Dipole, Da:	2.4
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-bromo-2-methylphenyl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CSC(=N1)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations