Geometry & MOs

Info

ID:	186045
PubChem CID:	77383778
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	514.319543
ΔH_f, kcal/mol:	6.39
Dipole, Da:	5.17
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] 4-oct-5-enoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=O)C3CCCCC3=N2

DOS

IR

Vibrations