Geometry & MOs

Info

ID:	291556
PubChem CID:	113442819
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	331.07831
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	6.43
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromoacetyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=NOC(=N1)C2=CC=C(C=C2)NC)OC

DOS

IR

Vibrations