Geometry & MOs

Info

ID:	181579
PubChem CID:	76762454
Reduced:	NO5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-99.87
Dipole, Da:	7.71
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1C(C(CC(=O)C1C(=O)C=CC2=CC=C(C=C2)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations