Geometry & MOs

Info

ID:

319524

PubChem CID:

126656528

Reduced:

NOH25C37 (1)

Stoich.:

ABC25D37 (1)

Weight, g/mol:

644.282764

ΔHf, kcal/mol:

106.28

Dipole, Da:

0.68

IP(EA), eV:

 -8.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4,6-diphenylpyridin-2-yl)-10,23-dimethyl-14-phenyl-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),4,6,8,11,15(24),16,18,20-nonaene

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C3=CC(=C4C(=C3O2)C5=CC=CC=C5N4)C6=CC7=C(C=C6)C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations