Geometry & MOs

Info

ID:	23517
PubChem CID:	604341
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	7.44
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-cyano-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(=O)C)C#N

DOS

IR

Vibrations