Geometry & MOs

Info

ID:	248705
PubChem CID:	103083770
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	458.98071
ΔH_f, kcal/mol:	57.04
Dipole, Da:	5.32
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2CC2)C3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations