Geometry & MOs

Info

ID:	410933
PubChem CID:	135083734
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	2.86
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2,3-dihydroindol-1-yl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

C/C(=N\[S@](=O)C(C)(C)C)/C1=CC=CO1

DOS

IR

Vibrations