Geometry & MOs

Info

ID:

222897

PubChem CID:

85332975

Reduced:

N6O7C30H36 (1)

Stoich.:

A6B7C30D36 (1)

Weight, g/mol:

592.373704

ΔHf, kcal/mol:

-255.55

Dipole, Da:

6.45

IP(EA), eV:

 -9.18(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-butyl-9-[[3,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]-(1H-pyrazol-4-yl)methyl]-3-(1-hydroxy-2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(C=NNC(=O)N)NC(=O)C1CC2=CC=CC3=C2N1C(=O)C(CC3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations