Geometry & MOs

Info

ID:	248724
PubChem CID:	103083963
Reduced:	BrON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	295.97159
ΔH_f, kcal/mol:	2.43
Dipole, Da:	3.97
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-(chloromethyl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations