Geometry & MOs

Info

ID:

188289

PubChem CID:

77694013

Reduced:

N4O7C35H46 (1)

Stoich.:

A4B7C35D46 (1)

Weight, g/mol:

535.317685

ΔHf, kcal/mol:

-290.93

Dipole, Da:

3.3

IP(EA), eV:

 -8.66(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-(3-phenylmethoxypropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)OC)C(=O)O)C(C5CCCCC5)O

DOS

IR

Vibrations