Geometry & MOs

Info

ID:

422955

PubChem CID:

135118678

Reduced:

O7N8C40H50 (1)

Stoich.:

A7B8C40D50 (1)

Weight, g/mol:

348.241293

ΔHf, kcal/mol:

-213.41

Dipole, Da:

3.53

IP(EA), eV:

 -8.39(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclobutyl-[4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CC(=NN4)C5=CC=CN5C

DOS

IR

Vibrations