Geometry & MOs

Info

ID:	297918
PubChem CID:	117636467
Reduced:	N4O5H26C28 (1)
Stoich.:	A4B5C26D28 (1)
Weight, g/mol:	288.107419
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	8.24
IP(EA), eV:	-8.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-2,3-dihydroindol-1-yl)-2-(2,5-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OCC(=O)N2CCC3=C2C=CC(=C3)NC4=NC=NC5=CC(=C(C=C54)OC)OC

DOS

IR

Vibrations