Geometry & MOs

Info

ID:	220878
PubChem CID:	85240251
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	3.92
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,13-diaminotetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-diol

Drug info:

PubChemData

Smile

CC1(CC(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations