Geometry & MOs

Info

ID:

309898

PubChem CID:

126566090

Reduced:

FON8H25C32 (1)

Stoich.:

ABC8D25E32 (1)

Weight, g/mol:

525.232874

ΔHf, kcal/mol:

168.98

Dipole, Da:

8.77

IP(EA), eV:

 -8.7(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-[5-(2-phenylethyl)pyridin-3-yl]but-2-enylidene]pyrazolidin-3-ylidene]pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/N=C32)F

DOS

IR

Vibrations