Geometry & MOs

Info

ID:	31075
PubChem CID:	854390
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	311.142248
ΔH_f, kcal/mol:	3.68
Dipole, Da:	3.01
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-ethyl-3-quinolin-2-yl-4H-quinoline-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

DOS

IR

Vibrations