Geometry & MOs

Info

ID:	207676
PubChem CID:	80436441
Reduced:	NC14H31 (1)
Stoich.:	AB14C31 (1)
Weight, g/mol:	371.97957
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	1.64
IP(EA), eV:	-8.63(3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

CCCNC(CCC(C)CC)CC(C)C

DOS

IR

Vibrations