Geometry & MOs

Info

ID:	206103
PubChem CID:	80203242
Reduced:	FNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	1.94
IP(EA), eV:	-9.13(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NCC=C)F

DOS

IR

Vibrations