Geometry & MOs

Info

ID:	248759
PubChem CID:	103084153
Reduced:	BrN4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	288.00106
ΔH_f, kcal/mol:	94.31
Dipole, Da:	3.1
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC=CC=C3)N

DOS

IR

Vibrations