Geometry & MOs

Info

ID:

419404

PubChem CID:

135108123

Reduced:

O4N5C23H31 (1)

Stoich.:

A4B5C23D31 (1)

Weight, g/mol:

535.23185

ΔHf, kcal/mol:

-80.94

Dipole, Da:

7.08

IP(EA), eV:

 -8.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5,6-dimethoxy-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CN1CC2CCCN(C2)C(=O)C3=C(C(=CC=C3)OC)OCCCN4C=C(CCC1=O)N=N4

DOS

IR

Vibrations