Geometry & MOs

Info

ID:	248700
PubChem CID:	103083726
Reduced:	BrN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	45.31
Dipole, Da:	5.07
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=C(C=C(C=C2)Br)C)N

DOS

IR

Vibrations