Geometry & MOs

Info

ID:	337792
PubChem CID:	127258415
Reduced:	O4C19H32 (1)
Stoich.:	A4B19C32 (1)
Weight, g/mol:	460.35526
ΔH_f, kcal/mol:	-218.8
Dipole, Da:	7.39
IP(EA), eV:	-9.19(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-benzyl 1-O-octadecyl butanedioate

Drug info:

PubChemData

Smile

CC(CCC/C(=C/COC(=O)CCC(=O)O)/C)CCC=C(C)C

DOS

IR

Vibrations