Geometry & MOs

Info

ID:	146854
PubChem CID:	53760971
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	452.376664
ΔH_f, kcal/mol:	55.52
Dipole, Da:	4.9
IP(EA), eV:	-8.31(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-dodecyl-2-(4-octoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1NC2=CC=C(C=C2)OC)C3=CNN=C3

DOS

IR

Vibrations