Geometry & MOs

Info

ID:	25274
PubChem CID:	622095
Reduced:	N2O2F3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	265.073893
ΔH_f, kcal/mol:	-203.43
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-phenoxynaphthalene

Drug info:

PubChemData

Smile

CC1=NC2=C(C13CCN4C(=C3)C(OC4=O)(C)C)C=CC=C2C(F)(F)F

DOS

IR

Vibrations