Geometry & MOs

Info

ID:	35605
PubChem CID:	7980091
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	380.01604
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	5.16
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations