Geometry & MOs

Info

ID:

169945

PubChem CID:

75171046

Reduced:

ON2C8H8 (3)

Stoich.:

AB2C8D8 (3)

Weight, g/mol:

474.165168

ΔHf, kcal/mol:

-55.31

Dipole, Da:

8.03

IP(EA), eV:

 -9.51(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-15,15-dimethyl-6,8,10,12,18,20-hexazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,10,12,17-tetraene-5,7,19-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3C(NC(=O)NC3=O)N=C4C2=C5C6C(=N4)CC(CC6=NC(=O)N5)(C)C

DOS

IR

Vibrations