Geometry & MOs

Info

ID:	32681
PubChem CID:	7847120
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	2.37
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations