Geometry & MOs

Info

ID:

38166

PubChem CID:

8027588

Reduced:

NO5H12C13 (1)

Stoich.:

AB5C12D13 (1)

Weight, g/mol:

381.113171

ΔHf, kcal/mol:

-128.74

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.778140

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-4-[(1R)-1-phenylethyl]-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)[O-])COC2=CC=CC(=C2)OC

DOS

IR

Vibrations