Geometry & MOs

Info

ID:	406309
PubChem CID:	135077184
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	374.209324
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	5.17
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-6-oxodec-9-en-2-yl] 2,4-dimethoxy-6-prop-2-enylbenzoate

Drug info:

PubChemData

Smile

CC1(CCCCC1)C(=O)N2C=C(C(=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations