Geometry & MOs

Info

ID:	248723
PubChem CID:	103083962
Reduced:	BrON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	292.02113
ΔH_f, kcal/mol:	15.09
Dipole, Da:	2.88
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylphenyl)-6-methylpyrimidin-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C=N2)CO

DOS

IR

Vibrations