Geometry & MOs

Info

ID:	248706
PubChem CID:	103083792
Reduced:	BrIN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	430.94941
ΔH_f, kcal/mol:	46.02
Dipole, Da:	4.55
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)C2=C(C=C(C=C2)Br)C)NCC)I

DOS

IR

Vibrations