Geometry & MOs

Info

ID:

181501

PubChem CID:

76751817

Reduced:

IrN3H30C36 (1)

Stoich.:

AB3C30D36 (1)

Weight, g/mol:

583.368033

ΔHf, kcal/mol:

245.94

Dipole, Da:

9.17

IP(EA), eV:

 -9.42(-4.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-benzyl 1-O-tert-butyl 3-[[3-methyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)butyl]carbamoyl]hexanedioate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2=CC=CC=[C-]2.CC1=C(N=CC=C1)C2=CC=CC=[C-]2.CC1=C(N=CC=C1)C2=CC=CC=[C-]2.[Ir+3]

DOS

IR

Vibrations