Geometry & MOs

Info

ID:

425984

PubChem CID:

135134312

Reduced:

F2C21H26 (1)

Stoich.:

A2B21C26 (1)

Weight, g/mol:

989.855562

ΔHf, kcal/mol:

-88.18

Dipole, Da:

2.6

IP(EA), eV:

 -9.31(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(10-ethyl-4,7-dipropyl-1,4,7,10-tetrazacyclotridec-1-yl)-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-hydroxy-3-(4,7,10-tripropyl-1,4,7,10-tetrazacyclododec-1-yl)propyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)F)C(C2=CC=C(C=C2)F)C(C)(C)C

DOS

IR

Vibrations