Geometry & MOs

Info

ID:	36711
PubChem CID:	8011669
Reduced:	ClN3O3H16C21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	26.93
Dipole, Da:	3.6
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations