Geometry & MOs

Info

ID:

314342

PubChem CID:

126621603

Reduced:

OSN4H38C63 (1)

Stoich.:

ABC4D38E63 (1)

Weight, g/mol:

727.262363

ΔHf, kcal/mol:

273.57

Dipole, Da:

3.88

IP(EA), eV:

 -8.04(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-9-yl-22-phenyl-N-(4-pyridin-3-ylphenyl)-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(21),17,19-undecaen-18-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=C(C=NC=C7)C8=CC=CC=C86)C9=CC1=C(C=C9)SC3=CC=CC=C31)C1=C2C=C2C(=C1)C=CC1=C2OC2=CC=CC=C12

DOS

IR

Vibrations