Geometry & MOs

Info

ID:	309986
PubChem CID:	126572417
Reduced:	ClN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	380.134777
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	2.53
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,5-dimethyl-6-oxopyridin-3-yl)-8-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C(=C2)Cl)NC(=O)CC3

DOS

IR

Vibrations