Geometry & MOs

Info

ID:

443492

PubChem CID:

135259188

Reduced:

ON6C18H22 (1)

Stoich.:

AB6C18D22 (1)

Weight, g/mol:

688.359785

ΔHf, kcal/mol:

22.17

Dipole, Da:

3.65

IP(EA), eV:

 -7.99(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-7-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]-2,7-diazaspiro[4.5]decan-6-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2CC(=C1)NC4=NC=NC5=C4CNC5)CCCC3

DOS

IR

Vibrations