Geometry & MOs

Info

ID:	403036
PubChem CID:	135058478
Reduced:	BN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	293.033349
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	8.48
IP(EA), eV:	-8.31(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-6-yl]ethanone

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)N(C)C

DOS

IR

Vibrations