Geometry & MOs

Info

ID:	267959
PubChem CID:	103591073
Reduced:	NOF2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	281.11757
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	2.07
IP(EA), eV:	-8.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-fluoro-N-(2-methoxyethyl)-5-methyl-2-nitroanilino]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)OC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations