Geometry & MOs

Info

ID:	37413
PubChem CID:	8020790
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	5.18
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[[(1R,2S)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

DOS

IR

Vibrations