Geometry & MOs

Info

ID:	150163
PubChem CID:	53789850
Reduced:	ClNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	408.350449
ΔH_f, kcal/mol:	-168.8
Dipole, Da:	4.72
IP(EA), eV:	-9.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nonyl-2-(4-nonylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CCCOC(=O)C(C(C)N)S(=O)(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations