Geometry & MOs

Info

ID:	52622
PubChem CID:	12015561
Reduced:	O17C35H62 (1)
Stoich.:	A17B35C62 (1)
Weight, g/mol:	239.058243
ΔH_f, kcal/mol:	-698.24
Dipole, Da:	5.43
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-nitrophenanthren-2-ol

Drug info:

PubChemData

Smile

COCCOCCOCCOCCOC1=CC(=CC(=C1OCCOCCOCCOCCOC)OCCOCCOCCOCCOC)C(=O)OC

DOS

IR

Vibrations