Geometry & MOs

Info

ID:	184384
PubChem CID:	77154763
Reduced:	NO9H24C26 (1)
Stoich.:	AB9C24D26 (1)
Weight, g/mol:	495.152931
ΔH_f, kcal/mol:	-221.52
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.414607
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxynaphthalen-2-yl)-6-[2-[4-(nitrooxymethyl)phenyl]acetyl]oxy-5-oxohexanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(CCC(=O)COC(=O)CC3=CC=C(C=C3)CO[N+](=O)[O-])C(=O)[O-]

DOS

IR

Vibrations