Geometry & MOs

Info

ID:	36059
PubChem CID:	7980709
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-120.73
Dipole, Da:	4.09
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations