Geometry & MOs

Info

ID:

448134

PubChem CID:

135288700

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

611.308325

ΔHf, kcal/mol:

180.98

Dipole, Da:

5.21

IP(EA), eV:

 -8.84(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=NC=C6

DOS

IR

Vibrations