Geometry & MOs

Info

ID:	17620
PubChem CID:	507945
Reduced:	FO3N8H23C26 (1)
Stoich.:	AB3C8D23E26 (1)
Weight, g/mol:	514.187715
ΔH_f, kcal/mol:	13.15
Dipole, Da:	7.63
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]tetrazol-2-yl]butanenitrile

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NN(N=N5)CCCC#N

DOS

IR

Vibrations