Geometry & MOs

Info

ID:	32672
PubChem CID:	7847068
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	367.097521
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	4.38
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N[C@H](CC)C3=CC=C(C=C3)C

DOS

IR

Vibrations