Geometry & MOs

Info

ID:	28939
PubChem CID:	830799
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	3.48
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)NN=CC2=CC=CC=C2Cl

DOS

IR

Vibrations