Geometry & MOs

Info

ID:	193731
PubChem CID:	78431352
Reduced:	NO6C30H35 (1)
Stoich.:	AB6C30D35 (1)
Weight, g/mol:	360.337873
ΔH_f, kcal/mol:	-195.43
Dipole, Da:	3.39
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethyl-(2-piperazine-1,4-diium-1-ylethyl)azanium

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C2)(C)C

DOS

IR

Vibrations