Geometry & MOs

Info

ID:

49730

PubChem CID:

11533676

Reduced:

ON7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

517.30712

ΔHf, kcal/mol:

90.61

Dipole, Da:

8.22

IP(EA), eV:

 -8.62(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-butyl-3-(cyclohexylmethyl)-9-[(4-prop-2-enoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN4C=CN=C4C(=N3)NC5=CC=C(C=C5)C(=N)N

DOS

IR

Vibrations