Geometry & MOs

Info

ID:	85889
PubChem CID:	49879922
Reduced:	ClN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	287.095116
ΔH_f, kcal/mol:	13.36
Dipole, Da:	1.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931934
Charge, e:	-1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2,6-dimethylquinolin-4-amine;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=C3C=CC4=CC=CC=C4C3=NC(=C2)C.[Cl-]

DOS

IR

Vibrations