Geometry & MOs

Info

ID:

311281

PubChem CID:

126590191

Reduced:

FSN4O4C34H37 (1)

Stoich.:

ABC4D4E34F37 (1)

Weight, g/mol:

583.357406

ΔHf, kcal/mol:

-107.97

Dipole, Da:

5.85

IP(EA), eV:

 -8.38(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(8-azaspiro[4.5]decan-8-yl)-5-[2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CCCC(C)/C(=C\NCC)/C1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=CC=C5OC)F

DOS

IR

Vibrations