Geometry & MOs

Info

ID:	17616
PubChem CID:	507863
Reduced:	FO4N5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	493.212533
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	5.78
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations