Geometry & MOs

Info

ID:

325027

PubChem CID:

126679304

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

315.176919

ΔHf, kcal/mol:

211.67

Dipole, Da:

3.56

IP(EA), eV:

 -8.01(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)ethenamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC9=C1C(=C8)C=CC=C1C1=CC=CC=C19)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations