Geometry & MOs

Info

ID:	443019
PubChem CID:	135257420
Reduced:	OSN2C4H4 (2)
Stoich.:	ABC2D4E4 (2)
Weight, g/mol:	231.144373
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	1.6
IP(EA), eV:	-8.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,10-dihydroxy-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodecane-5,11-diamine

Drug info:

PubChemData

Smile

C1(NC2=C(S1)C(=C3C(=C2O)N=C(S3)N)O)N

DOS

IR

Vibrations