Geometry & MOs

Info

ID:	40804
PubChem CID:	8144727
Reduced:	BrO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	369.136981
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	2.48
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloroindole-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)/C=N\NC(=O)CNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations