Geometry & MOs

Info

ID:	146178
PubChem CID:	53648654
Reduced:	O5N6H24C25 (1)
Stoich.:	A5B6C24D25 (1)
Weight, g/mol:	472.303618
ΔH_f, kcal/mol:	2.25
Dipole, Da:	11.09
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyloxy-5,5-dimethylnonyl)-2-(7-ethoxy-7-oxoheptyl)propanedioic acid

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3C4=NNN=N4)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations