Geometry & MOs

Info

ID:

309640

PubChem CID:

126551720

Reduced:

OF2C23H30 (1)

Stoich.:

AB2C23D30 (1)

Weight, g/mol:

878.256943

ΔHf, kcal/mol:

-138.0

Dipole, Da:

3.74

IP(EA), eV:

 -9.08(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-4,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyrimidine

Drug info:

PubChemData

Smile

C=CCCC1CCC(CC1)C2CCC(=CC2)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations