Geometry & MOs

Info

ID:

311201

PubChem CID:

126589877

Reduced:

N3O4C35H49 (1)

Stoich.:

A3B4C35D49 (1)

Weight, g/mol:

622.22063

ΔHf, kcal/mol:

-212.87

Dipole, Da:

2.64

IP(EA), eV:

 -8.64(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(7-azaspiro[3.5]nonan-7-yl)-6-(bromomethyl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2)N4CCC5(CCCC5)CC4)CC(=O)OC(C)C

DOS

IR

Vibrations