Geometry & MOs

Info

ID:	248704
PubChem CID:	103083762
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	4.87
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)COC)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations