Geometry & MOs

Info

ID:	276948
PubChem CID:	103825916
Reduced:	ClOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	255.08262
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	5.23
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(6-fluoro-2,3-dihydroindol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)CCCCCl

DOS

IR

Vibrations