Geometry & MOs

Info

ID:

314461

PubChem CID:

126621864

Reduced:

N2O2H44C67 (1)

Stoich.:

A2B2C44D67 (1)

Weight, g/mol:

716.282764

ΔHf, kcal/mol:

210.31

Dipole, Da:

2.51

IP(EA), eV:

 -8.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-3-yl-9,9-dimethyl-N-naphthalen-1-yl-22-phenyl-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(21),17,19-undecaen-18-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=CC5=C(C=C4C=C3)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC=CC(=C8)C9=CC=C(C=C9)N(C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C

DOS

IR

Vibrations