Geometry & MOs

Info

ID:	189166
PubChem CID:	77823992
Reduced:	FO2N3C28H36 (1)
Stoich.:	AB2C3D28E36 (1)
Weight, g/mol:	518.325691
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	3.91
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-pentan-3-ylpiperazin-1-yl]methyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC(CC)C1C(=O)NC(CN1CC2=C(C=C(C=C2)F)C(=O)N(C)C)C3CC4=CC=CC=C4C3

DOS

IR

Vibrations