Geometry & MOs

Info

ID:

414877

PubChem CID:

135087849

Reduced:

ON3C11H15 (2)

Stoich.:

AB3C11D15 (2)

Weight, g/mol:

447.215806

ΔHf, kcal/mol:

-15.22

Dipole, Da:

4.26

IP(EA), eV:

 -8.62(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S,14S)-12-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=CC=N4

DOS

IR

Vibrations