Geometry & MOs

Info

ID:	318031
PubChem CID:	126648462
Reduced:	FNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	404.329045
ΔH_f, kcal/mol:	-120.22
Dipole, Da:	5.15
IP(EA), eV:	-9.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,13E)-hexacosa-4,13-diene-3,15,23-trione

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=CC(=C1)C2=NC(=CC3=CC=CC=C32)C(=O)C)F

DOS

IR

Vibrations