Geometry & MOs

Info

ID:	248709
PubChem CID:	103083817
Reduced:	Br2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	416.93376
ΔH_f, kcal/mol:	57.64
Dipole, Da:	4.91
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-N-ethyl-5-iodopyrimidin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations