Geometry & MOs

Info

ID:	205784
PubChem CID:	80157265
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-178.45
Dipole, Da:	2.49
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(3-fluoro-4-nitrophenyl)methyl]-N-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(C(C1)O)CNC(=O)C2=C(C=CC(=C2)F)O

DOS

IR

Vibrations