Geometry & MOs

Info

ID:

163554

PubChem CID:

58034474

Reduced:

ON4H12C16 (1)

Stoich.:

AB4C12D16 (1)

Weight, g/mol:

595.221954

ΔHf, kcal/mol:

78.51

Dipole, Da:

4.29

IP(EA), eV:

 -9.38(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-hydroxy-1-[4-[11-(2-methoxyphenyl)-4-methyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]phenyl]-3-methylcyclobutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NN2C3=C(C=C(C(=O)C3)C4=CC=NC=C4)C=NC2=C1

DOS

IR

Vibrations