Geometry & MOs

Info

ID:

445856

PubChem CID:

135269815

Reduced:

N2O10C55H82 (1)

Stoich.:

A2B10C55D82 (1)

Weight, g/mol:

546.382143

ΔHf, kcal/mol:

-453.8

Dipole, Da:

6.63

IP(EA), eV:

 -8.62(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(decan-5-yloxymethylamino)phenyl]methyl]-N-(1-phenoxybutan-2-yloxymethyl)aniline

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)OC[C@H](COC(=O)C(=C)C)OC(=O)NC[C@@H]2CC3C[C@@H](C2C3)CNC(=O)OC(COC4=CC=C(C=C4)CCCCCCCCC)COC(=O)C(=C)C

DOS

IR

Vibrations