Geometry & MOs

Info

ID:

438544

PubChem CID:

135228287

Reduced:

N2O2C6H7 (2)

Stoich.:

A2B2C6D7 (2)

Weight, g/mol:

384.110151

ΔHf, kcal/mol:

-98.33

Dipole, Da:

5.89

IP(EA), eV:

 -8.71(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-methyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=O)C/C(=C(\C(=O)O)/N)/N2N

DOS

IR

Vibrations