Geometry & MOs

Info

ID:	128788
PubChem CID:	51057990
Reduced:	BrSO3H13C18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	403.155036
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	3.28
IP(EA), eV:	-9.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-chlorophenyl)methoxy]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=CC=C(S2)/C=C/C(=O)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations