Geometry & MOs

Info

ID:

434384

PubChem CID:

135174817

Reduced:

OSN5C25H27 (1)

Stoich.:

ABC5D25E27 (1)

Weight, g/mol:

630.556026

ΔHf, kcal/mol:

92.54

Dipole, Da:

0.45

IP(EA), eV:

 -9.12(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[5-[1-[3-(4-tert-butylpiperazin-1-yl)propyl]pyrazol-4-yl]-2,5-dimethylhexan-2-yl]-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1=CC(=NS1)COC2=CC(=CC(=C2)/C=C/C3=CC(=CN=C3)C#N)CNCC4CCNC4

DOS

IR

Vibrations