Geometry & MOs

Info

ID:	317700
PubChem CID:	126645205
Reduced:	NO5C16H20 (1)
Stoich.:	AB5C16D20 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	6.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758509
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(2-nitro-5-propan-2-ylphenoxy)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCC1(C(=O)[O-])OC2=C(C=CC(=C2)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations