Geometry & MOs

Info

ID:	194626
PubChem CID:	78565134
Reduced:	ClN3O5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	515.191957
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	6.68
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCNC(=O)C2=CC=CO2

DOS

IR

Vibrations