Geometry & MOs

Info

ID:

319503

PubChem CID:

126656404

Reduced:

ON2H42C61 (1)

Stoich.:

AB2C42D61 (1)

Weight, g/mol:

704.282764

ΔHf, kcal/mol:

216.76

Dipole, Da:

3.08

IP(EA), eV:

 -7.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-carbazol-9-ylphenyl)-6-methyl-11-(4-phenylphenyl)-5-[(Z)-prop-1-enyl]-4-oxa-11-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2,5,7,9,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=C7C(=C8C(=C6)C9=CC=CC=C9O8)C1=C(N7C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C2C=C1)C

DOS

IR

Vibrations