Geometry & MOs

Info

ID:	36070
PubChem CID:	7980723
Reduced:	FO3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	2.02
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations