Geometry & MOs

Info

ID:	36106
PubChem CID:	7980771
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	2.6
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations