Geometry & MOs

Info

ID:

439774

PubChem CID:

135229594

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

305.192569

ΔHf, kcal/mol:

197.23

Dipole, Da:

1.93

IP(EA), eV:

 -7.85(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-(3-ethylpyrrolidin-1-yl)prop-1-en-2-yl]piperidin-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC=CC=C2C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations