Geometry & MOs

Info

ID:

44811

PubChem CID:

10506023

Reduced:

OC2H3 (12)

Stoich.:

AB2C3 (12)

Weight, g/mol:

516.133063

ΔHf, kcal/mol:

-555.39

Dipole, Da:

3.7

IP(EA), eV:

 -10.19(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-6-pyridin-2-yl-7,8-dihydronaphthalen-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCC(=O)C(=C)[C@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(C)(C)C

DOS

IR

Vibrations