Geometry & MOs

Info

ID:	372916
PubChem CID:	131307010
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	234.092376
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-chloroquinolin-2-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CSC2=C1C=C(C(=C2)CC(=O)O)I

DOS

IR

Vibrations