Geometry & MOs

Info

ID:

438434

PubChem CID:

135228175

Reduced:

NO2C10H12 (2)

Stoich.:

AB2C10D12 (2)

Weight, g/mol:

414.180424

ΔHf, kcal/mol:

-111.23

Dipole, Da:

6.97

IP(EA), eV:

 -7.98(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-2-(16-methoxy-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCN1C(=C/C=C(/C2=CC=CC(=O)N2)\OCC)C=CC=C1C(=O)OCC

DOS

IR

Vibrations