Geometry & MOs

Info

ID:	158112
PubChem CID:	56463000
Reduced:	NO2F3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	362.087827
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	3.69
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4,4,4-trifluoro-1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN(C)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F

DOS

IR

Vibrations