Geometry & MOs

Info

ID:

319529

PubChem CID:

126656545

Reduced:

ON2H46C53 (1)

Stoich.:

AB2C46D53 (1)

Weight, g/mol:

614.235814

ΔHf, kcal/mol:

212.05

Dipole, Da:

3.35

IP(EA), eV:

 -7.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4,6-diphenylpyridin-2-yl)-12-phenyl-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),18,20-decaene

Drug info:

PubChemData

Smile

CC1CC=CC2=C1C(C3C2=CC=C(C3C)C4=C5C6=CC=CC=C6N(C5=C7C(=C4)C8C=CC=CC8O7)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)(C)C

DOS

IR

Vibrations