Geometry & MOs

Info

ID:	248701
PubChem CID:	103083736
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	319.06841
ΔH_f, kcal/mol:	35.1
Dipole, Da:	5.75
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC2=C1CCC2)C3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations