Geometry & MOs

Info

ID:	17617
PubChem CID:	507865
Reduced:	FN4O4H25C29 (1)
Stoich.:	AB4C4D25E29 (1)
Weight, g/mol:	512.185983
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	5.07
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N-benzyl-4-fluoro-1H-indole-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations