Geometry & MOs

Info

ID:	441133
PubChem CID:	135233258
Reduced:	NO7C34H45 (1)
Stoich.:	AB7C34D45 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-303.03
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,6Z,8E)-5,9-dimethyl-1-(methylamino)-10-oxododeca-1,6,8-trien-6-yl] formate

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1)OC(=C2)CC(C)CC(C)C(=O)C3=C(C=C(OC3=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations