Geometry & MOs

Info

ID:	406332
PubChem CID:	135077256
Reduced:	NS2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	363.04701
ΔH_f, kcal/mol:	25.33
Dipole, Da:	2.31
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-(2,2-dimethylpropanoyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2SCCS2

DOS

IR

Vibrations