Geometry & MOs

Info

ID:	36056
PubChem CID:	7980706
Reduced:	FNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	4.99
IP(EA), eV:	-9.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations