Geometry & MOs

Info

ID:	315011
PubChem CID:	126624171
Reduced:	FNO6C29H40 (1)
Stoich.:	ABC6D29E40 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-311.79
Dipole, Da:	4.93
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-7-chloroquinolin-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCC1C(=O)C2=C(C=C(C(=C2)C3CC3)OCC4CCN(C(C4)C(C)(C)C)C(=O)O)F

DOS

IR

Vibrations