Geometry & MOs

Info

ID:	151231
PubChem CID:	53790931
Reduced:	ClN2O5C29H45 (1)
Stoich.:	AB2C5D29E45 (1)
Weight, g/mol:	276.281701
ΔH_f, kcal/mol:	-258.75
Dipole, Da:	2.74
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

icosa-6,9,12-triene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCN(CC(C(C1)C2CCCCCCCC2O)OC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations