Geometry & MOs

Info

ID:	189165
PubChem CID:	77823991
Reduced:	N3O5C33H37 (1)
Stoich.:	A3B5C33D37 (1)
Weight, g/mol:	465.279156
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	9.39
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-pentan-3-ylpiperazin-1-yl]methyl]-5-fluoro-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)C4CNCCC4C5=CC=CC(=C5)C6=CC=CC=C6O

DOS

IR

Vibrations