Geometry & MOs

Info

ID:	177778
PubChem CID:	76229458
Reduced:	BrFNOH15C17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	2.83
IP(EA), eV:	-9.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C(=O)C=CC2=CC(=CC=C2)F

DOS

IR

Vibrations