Geometry & MOs

Info

ID:	80552
PubChem CID:	49835099
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	342.25588
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	4.32
IP(EA), eV:	-9.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C=N1)C2=NC(=NO2)C3=CC=C(C=C3)CO)C4=CCOCC4

DOS

IR

Vibrations