Geometry & MOs

Info

ID:	14874
PubChem CID:	423198
Reduced:	ClN2O3C29H33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	492.217971
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	3.65
IP(EA), eV:	-8.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantylamino)-1-[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-4-yl]ethanol

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=NC2=C(C=C1)OC)C3=CC=C(C=C3)Cl)C(CNC45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations