Geometry & MOs

Info

ID:	32665
PubChem CID:	7847057
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	5.67
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations