Geometry & MOs

Info

ID:

377164

PubChem CID:

134223202

Reduced:

OF2N9C22H23 (1)

Stoich.:

AB2C9D22E23 (1)

Weight, g/mol:

497.209927

ΔHf, kcal/mol:

22.24

Dipole, Da:

4.89

IP(EA), eV:

 -9.22(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[4-cyclopropyl-2-fluoro-5-(4-methyl-5-oxotetrazol-1-yl)anilino]-5-fluoropyrimidin-4-yl]amino]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

Drug info:

PubChemData

Smile

C1CC2CC(CC(=O)N2C1)NC3=NC(=NC=C3F)NC4=C(C=C(C(=C4)N5C=NN=N5)C6CC6)F

DOS

IR

Vibrations