Geometry & MOs

Info

ID:	298839
PubChem CID:	117661201
Reduced:	BrNO2F4H6C13 (1)
Stoich.:	ABC2D4E6F13 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-188.73
Dipole, Da:	2.08
IP(EA), eV:	-10.12(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)F)F)OC(=O)C2=NC=C(C=C2)Br)F

DOS

IR

Vibrations