Geometry & MOs

Info

ID:	184383
PubChem CID:	77154762
Reduced:	NO9H25C26 (1)
Stoich.:	AB9C25D26 (1)
Weight, g/mol:	494.145106
ΔH_f, kcal/mol:	-224.0
Dipole, Da:	8.12
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C(COC(=O)CC1=CC=C(C=C1)CO[N+](=O)[O-])(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations