Geometry & MOs

Info

ID:	218004
PubChem CID:	85088725
Reduced:	TiN2O6C18H36 (1)
Stoich.:	AB2C6D18E36 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-208.19
Dipole, Da:	12.97
IP(EA), eV:	-8.8(-2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3,5-dichloro-2-ethoxyphenyl)methylamino]propylamino]-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)O.CC(C)O.CC(C)O.CN(C)C(C1=CC(=CC=C1)[N+](=O)[O-])O.[Ti]

DOS

IR

Vibrations