Geometry & MOs

Info

ID:

51641

PubChem CID:

12014346

Reduced:

ON4H20C25 (1)

Stoich.:

AB4C20D25 (1)

Weight, g/mol:

466.200491

ΔHf, kcal/mol:

107.85

Dipole, Da:

2.69

IP(EA), eV:

 -8.28(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[17-(diethylamino)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaen-11-yl]-4-methoxyphenol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2N=C3C(=CC4=CC=CC=C4O3)C5=NC6=CC=CC=C6N25

DOS

IR

Vibrations