Geometry & MOs

Info

ID:

377702

PubChem CID:

134223766

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

379.146681

ΔHf, kcal/mol:

222.7

Dipole, Da:

2.41

IP(EA), eV:

 -7.92(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-amino-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl)-(2,3-dihydro-1H-inden-2-ylamino)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C(=C6)C9=CC=CC=C9N8C1=CC=CC=C1)C1=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations