Geometry & MOs

Info

ID:

176804

PubChem CID:

76101744

Reduced:

FO2N4C16H16 (1)

Stoich.:

AB2C4D16E16 (1)

Weight, g/mol:

315.183444

ΔHf, kcal/mol:

-50.56

Dipole, Da:

1.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.284701

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methoxy-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)C)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations