Geometry & MOs

Info

ID:	187230
PubChem CID:	77547613
Reduced:	FON2H19C24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	479.17835
ΔH_f, kcal/mol:	14.04
Dipole, Da:	5.84
IP(EA), eV:	-9.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-bromo-2-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(=O)N1)C2=CC=CC=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4F

DOS

IR

Vibrations