Geometry & MOs

Info

ID:	287410
PubChem CID:	104241012
Reduced:	IN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	369.96392
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	9.04
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-2-(4-chlorophenyl)-6-cyclopentylpyrimidine

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C(=C(N1)C2CCCC2)I)OC

DOS

IR

Vibrations