Geometry & MOs

Info

ID:	404562
PubChem CID:	135066840
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	1.9
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)-4-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)C2=CC=CC=C2)C3=NC4=C(C=C3)C(=O)CC(C4)(C)C

DOS

IR

Vibrations