Geometry & MOs

Info

ID:	18317
PubChem CID:	539617
Reduced:	NO10C24H31 (1)
Stoich.:	AB10C24D31 (1)
Weight, g/mol:	493.194796
ΔH_f, kcal/mol:	-275.9
Dipole, Da:	3.68
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-nitro-3-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxymethyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC5=C(C=CC(=C5)OCC(=O)O)[N+](=O)[O-])C

DOS

IR

Vibrations