Geometry & MOs

Info

ID:	163527
PubChem CID:	58029071
Reduced:	NH9C14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	566.379367
ΔH_f, kcal/mol:	128.83
Dipole, Da:	1.32
IP(EA), eV:	-8.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-tris(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7N6

DOS

IR

Vibrations