Geometry & MOs

Info

ID:	206777
PubChem CID:	80300767
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	6.75
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-aminoquinolin-2-yl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(CCCO)NC1=C(C=C(C=C1)C(=O)N)N

DOS

IR

Vibrations