Geometry & MOs

Info

ID:	44034
PubChem CID:	10500555
Reduced:	NSO2H23C24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	5.98
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2a-[4-(4-phenylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3/C(=C\C4=CC=CC=C4)/C2

DOS

IR

Vibrations