Geometry & MOs

Info

ID:	199368
PubChem CID:	79235009
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	0.01
Dipole, Da:	6.15
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylquinolin-4-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)NC(=O)C2=CC=CC(=C2)CCN

DOS

IR

Vibrations