Geometry & MOs

Info

ID:	37362
PubChem CID:	8020199
Reduced:	ClN3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	5.54
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=N\NC3=CC(=C(C=C3)Cl)C(=O)O)/C1=O

DOS

IR

Vibrations