Geometry & MOs

Info

ID:	312724
PubChem CID:	126607592
Reduced:	NO3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	3.01
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(2-methylbutan-2-yloxy)phenyl]quinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C(C1=O)C3=CC=C(C=C3)OCOC4=CC=C(C=C4)C=C

DOS

IR

Vibrations