Geometry & MOs

Info

ID:	181701
PubChem CID:	76779897
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	629.408024
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	3.37
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-(4-hydroxy-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-7-methyl-4-oxonon-7-enyl]icosa-5,8,11,14,17-pentaenamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C(=O)NO)NC(=O)C2=C(C3=CC=CC=C3O2)C

DOS

IR

Vibrations