Geometry & MOs

Info

ID:

315537

PubChem CID:

126627520

Reduced:

N3O4C19H25 (1)

Stoich.:

A3B4C19D25 (1)

Weight, g/mol:

531.196963

ΔHf, kcal/mol:

-138.31

Dipole, Da:

8.24

IP(EA), eV:

 -8.95(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[5-[(4-fluorophenyl)methyl]-2,3-dihydro-1,3-oxazol-2-yl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C(=O)O)C(=C1CC(=O)OC)N3CCC(CC3)(C)C

DOS

IR

Vibrations