Geometry & MOs

Info

ID:	41397
PubChem CID:	8145808
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	370.13223
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	6.31
IP(EA), eV:	-9.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione

Drug info:

PubChemData

Smile

C1CCC(=NNC(=O)CC(=O)NCCC2=CC=CC=C2)C1

DOS

IR

Vibrations