Geometry & MOs

Info

ID:	186415
PubChem CID:	77428454
Reduced:	FO6N7H18C21 (1)
Stoich.:	AB6C7D18E21 (1)
Weight, g/mol:	416.141532
ΔH_f, kcal/mol:	-152.58
Dipole, Da:	3.5
IP(EA), eV:	-9.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-(4-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1C2C3(CC4=CC5=C(C(=C4N2CCO1)F)ON=C5N6C=C(C=N6)C(=O)N)C(=O)NC(=O)NC3=O

DOS

IR

Vibrations