Geometry & MOs

Info

ID:	217120
PubChem CID:	85087288
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	9.04
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(acetyloxymethylidene)-7-formyl-11-methyldodeca-1,6,10-trienyl] acetate

Drug info:

PubChemData

Smile

CCOC(=C(C#N)C1C2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)N1C)O

DOS

IR

Vibrations