Geometry & MOs

Info

ID:

419332

PubChem CID:

135107988

Reduced:

N6O7C39H48 (1)

Stoich.:

A6B7C39D48 (1)

Weight, g/mol:

388.236208

ΔHf, kcal/mol:

-260.07

Dipole, Da:

6.38

IP(EA), eV:

 -9.61(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OCC(=O)N

DOS

IR

Vibrations