Geometry & MOs

Info

ID:	32685
PubChem CID:	7847140
Reduced:	ClN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-44.96
Dipole, Da:	0.62
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

DOS

IR

Vibrations