Geometry & MOs

Info

ID:	187007
PubChem CID:	77517380
Reduced:	SO4N6C25H36 (1)
Stoich.:	AB4C6D25E36 (1)
Weight, g/mol:	396.140469
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	5.87
IP(EA), eV:	-8.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]methyl]-5-phenylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C2NC(NC(=O)N2C(=N1)C3CCCCC3)C4=C(C=C(C=C4)S(=O)(=O)N5CCCN(CC5)C)OC

DOS

IR

Vibrations