Geometry & MOs

Info

ID:	314587
PubChem CID:	126622320
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	281.189198
ΔH_f, kcal/mol:	58.86
Dipole, Da:	2.87
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-pentylquinolin-5-yl)butanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NC3=C2N=C(N=C3OC4=CC=CC=C4)Cl)C5CC5

DOS

IR

Vibrations