Geometry & MOs

Info

ID:	304377
PubChem CID:	124568680
Reduced:	ClSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	5.04
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(2-methoxyquinolin-4-yl)methyl]-1-[(3R)-oxolan-3-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)C(=O)N2CCSC[C@H]2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations