Geometry & MOs

Info

ID:	393136
PubChem CID:	135019485
Reduced:	NO6C15H23 (1)
Stoich.:	AB6C15D23 (1)
Weight, g/mol:	438.334525
ΔH_f, kcal/mol:	-235.27
Dipole, Da:	2.73
IP(EA), eV:	-9.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-12-[(Z)-12-hydroxydodec-9-enoyl]oxydodec-9-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H](CC=CC1=O)C)ONC(=O)OC(C)(C)C

DOS

IR

Vibrations