Geometry & MOs

Info

ID:	224571
PubChem CID:	85344967
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	4.46
IP(EA), eV:	-10.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,8-dimethyl-5-propa-1,2-dienylnona-2,8-dienyl) acetate

Drug info:

PubChemData

Smile

CC(=O)C(C1C2=CC=CC=C2C(=O)N1)C(=O)OC

DOS

IR

Vibrations