Geometry & MOs

Info

ID:

162288

PubChem CID:

57394194

Reduced:

NO3F7H32C34 (1)

Stoich.:

AB3C7D32E34 (1)

Weight, g/mol:

494.214033

ΔHf, kcal/mol:

-440.65

Dipole, Da:

7.34

IP(EA), eV:

 -8.95(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C3=CCCC3)C4=CC(=C(C=C4OC)F)C(C)C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations