Geometry & MOs

Info

ID:

314402

PubChem CID:

126621753

Reduced:

NOH25C37 (1)

Stoich.:

ABC25D37 (1)

Weight, g/mol:

548.188863

ΔHf, kcal/mol:

108.47

Dipole, Da:

2.9

IP(EA), eV:

 -8.04(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C7C(=C6)C=CC8=C7C9=CC=CC=C9O8)C

DOS

IR

Vibrations