Geometry & MOs

Info

ID:

297513

PubChem CID:

117619400

Reduced:

NOH49C55 (1)

Stoich.:

ABC49D55 (1)

Weight, g/mol:

402.236601

ΔHf, kcal/mol:

119.09

Dipole, Da:

2.49

IP(EA), eV:

 -7.86(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-[2-[3-oxo-3-(prop-2-ynylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC9=C8OC1=CC=CC=C91)C1CCCCC1

DOS

IR

Vibrations