Geometry & MOs

Info

ID:

433103

PubChem CID:

135173240

Reduced:

N3H31C46 (1)

Stoich.:

A3B31C46 (1)

Weight, g/mol:

376.211055

ΔHf, kcal/mol:

231.69

Dipole, Da:

2.8

IP(EA), eV:

 -8.9(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-amino-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,4,7-triazacycloundecane-2,5,8-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CC=CC=N9

DOS

IR

Vibrations