Geometry & MOs

Info

ID:

314443

PubChem CID:

126621829

Reduced:

OSN2H40C61 (1)

Stoich.:

ABC2D40E61 (1)

Weight, g/mol:

716.246378

ΔHf, kcal/mol:

215.99

Dipole, Da:

2.12

IP(EA), eV:

 -7.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[3-(22-phenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzofuran-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C=CC7=C(C6=C5)OC8=CC=CC=C78)C9=CC=CC=C9)C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C

DOS

IR

Vibrations