Geometry & MOs

Info

ID:

435727

PubChem CID:

135192255

Reduced:

N2O2H36C59 (1)

Stoich.:

A2B2C36D59 (1)

Weight, g/mol:

532.212885

ΔHf, kcal/mol:

224.67

Dipole, Da:

2.01

IP(EA), eV:

 -8.56(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[2-(3-chlorophenyl)-8-(3,4-dihydro-2H-chromen-6-yl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

C=C1/C(=C\C2=CC=CC=C2CC3=C(O1)C=CC4=CC=CC=C34)/C5=NC(=NC(=C5)C6=CC7=CC=CC=C7C8=C6OC9=C8C1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations