Geometry & MOs

Info

ID:	209720
PubChem CID:	80708431
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	256.122321
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	5.18
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-methyl-2-nitro-N-(2-propan-2-yloxyethyl)aniline

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=C(C=C(C=C1)CO)[N+](=O)[O-]

DOS

IR

Vibrations