Geometry & MOs

Info

ID:	439248
PubChem CID:	135229015
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	4.42
IP(EA), eV:	-9.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-7-(2-piperidin-4-ylpropyl)-7H-diazeto[4,1-a]isoindole

Drug info:

PubChemData

Smile

CC(C)(C)C1C(NC(=O)C=N1)C(C)(C)C2=CC=CC=N2

DOS

IR

Vibrations