Geometry & MOs

Info

ID:	33725
PubChem CID:	7887770
Reduced:	FNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	349.168936
ΔH_f, kcal/mol:	-220.52
Dipole, Da:	8.34
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations