Geometry & MOs

Info

ID:	171921
PubChem CID:	75441853
Reduced:	F2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	323.074678
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.72
IP(EA), eV:	-8.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-3-yl)methyl 4-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN=CC=C2)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations