Geometry & MOs

Info

ID:

310564

PubChem CID:

126582217

Reduced:

FO3N4C36H47 (1)

Stoich.:

AB3C4D36E47 (1)

Weight, g/mol:

654.370055

ΔHf, kcal/mol:

-145.34

Dipole, Da:

6.44

IP(EA), eV:

 -8.96(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(6-azaspiro[2.5]octan-6-ylmethyl)-5-[2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CNCCOC)C)CC(=O)O)N5CCC(CC5)(C)C

DOS

IR

Vibrations