Geometry & MOs

Info

ID:	184382
PubChem CID:	77154761
Reduced:	NO2C27H33 (1)
Stoich.:	AB2C27D33 (1)
Weight, g/mol:	495.152931
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	5.23
IP(EA), eV:	-8.53(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxynaphthalen-2-yl)-2-[[2-[4-(nitrooxymethyl)phenyl]acetyl]oxymethyl]-3-oxopentanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1C(CC2=O)CNCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

DOS

IR

Vibrations