Geometry & MOs

Info

ID:

425542

PubChem CID:

135126668

Reduced:

F2C9H14 (1)

Stoich.:

A2B9C14 (1)

Weight, g/mol:

709.295394

ΔHf, kcal/mol:

-102.26

Dipole, Da:

0.3

IP(EA), eV:

-9.1(0.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[1-[[6-[(3-ethenylindol-1-yl)methyl]pyridin-2-yl]methyl]indol-3-yl]-9,17,26,27-tetrazaheptacyclo[13.9.1.12,9.117,24.03,8.011,25.018,23]heptacosa-2(27),3,5,7,11(25),12,14,18,20,22,24(26)-undecaene

Drug info:

PubChemData

Smile

CC(C)C/C=C(\C=C(/C)\F)/F

DOS

IR

Vibrations