Geometry & MOs

Info

ID:	11703
PubChem CID:	119387
Reduced:	FNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	3.4
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrooxybutyl 2-(3-fluoro-4-phenylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCCCCO[N+](=O)[O-]

DOS

IR

Vibrations