Geometry & MOs

Info

ID:	314539
PubChem CID:	126622087
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	6.34
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-oxo-3-propyl-3,4-dihydro-1H-quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CCCC1CC2=C(C(=CC=C2)C#N)NC1=O

DOS

IR

Vibrations