Geometry & MOs

Info

ID:	421154
PubChem CID:	135115482
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	2.41
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-methyl-7-methylsulfanylquinolin-2-amine

Drug info:

PubChemData

Smile

COCC(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations