Geometry & MOs

Info

ID:

51535

PubChem CID:

12014218

Reduced:

N6O9C69H80 (1)

Stoich.:

A6B9C69D80 (1)

Weight, g/mol:

402.183109

ΔHf, kcal/mol:

-262.8

Dipole, Da:

10.21

IP(EA), eV:

 -9.24(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[2-(3-hydroxypropoxy)naphthalen-1-yl]naphthalen-2-yl]oxypropan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H]4CC[C@@H]5[C@@]4([C@@H]6C[C@H]7[C@@H]5CC[C@H]8[C@@]7(CC[C@H](C8)OCCCOC(=O)NC9=CC=CC(=N9)NC(=O)C1=CC(=CC=C1)C(=O)NC1=NC(=CC=C1)NC(=O)OCCCO6)C)C

DOS

IR

Vibrations