Geometry & MOs

Info

ID:

163556

PubChem CID:

58034519

Reduced:

O3N6H30C40 (1)

Stoich.:

A3B6C30D40 (1)

Weight, g/mol:

301.09636

ΔHf, kcal/mol:

91.11

Dipole, Da:

5.52

IP(EA), eV:

 -9.18(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-12-oxo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),4,6,8,10-pentaene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=CC3=C(C(=C(N=C32)C4=CC=C(C=C4)C5(CC(C5)(C)O)N6C(=O)C7=CC=CC=C7C6=O)C8=CC=CC=C8)C9=CC=NC=C9

DOS

IR

Vibrations