Geometry & MOs

Info

ID:	149730
PubChem CID:	53789405
Reduced:	ON4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	670.590011
ΔH_f, kcal/mol:	72.93
Dipole, Da:	4.61
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-(16-methylheptadecyl) 1-O-octadecyl benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)N=C2C=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations