Geometry & MOs

Info

ID:	184385
PubChem CID:	77154764
Reduced:	NO9H25C26 (1)
Stoich.:	AB9C25D26 (1)
Weight, g/mol:	494.145106
ΔH_f, kcal/mol:	-226.48
Dipole, Da:	9.21
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-methoxynaphthalen-2-yl)-2-[[2-[4-(nitrooxymethyl)phenyl]acetyl]oxymethyl]-4-oxopentanoate

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