Geometry & MOs

Info

ID:	27987
PubChem CID:	824659
Reduced:	BrNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	218.037754
ΔH_f, kcal/mol:	-61.46
Dipole, Da:	2.46
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,6-dichloro-5-methylpyrimidine

Drug info:

PubChemData

Smile

CCOC1=C(C(=NC=C1)OCC)Br

DOS

IR

Vibrations