Geometry & MOs

Info

ID:	399585
PubChem CID:	135041087
Reduced:	BrOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-11.26
Dipole, Da:	0.76
IP(EA), eV:	-9.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-ethyl-5-prop-2-enylquinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C=C)[C@@H](C/C(=C/C1=CC=CC=C1)/Br)O

DOS

IR

Vibrations