Geometry & MOs

Info

ID:

393227

PubChem CID:

135019780

Reduced:

NH33C60 (1)

Stoich.:

AB33C60 (1)

Weight, g/mol:

432.248457

ΔHf, kcal/mol:

686.51

Dipole, Da:

23.06

IP(EA), eV:

 -6.28(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-11-[tert-butyl(diphenyl)silyl]oxy-4-methylundec-1-en-7-yn-6-one

Drug info:

PubChemData

Smile

C1C2CC34CN(CC3C5=CC6=CC7=C8C6=C9C5=C3C4=C2C2=C4C3=C9C3=C8C5=C6C3=C4C3=C4C6=C(CC4=CC1=C23)C=C5C7)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations