Geometry & MOs

Info

ID:

311186

PubChem CID:

126589818

Reduced:

OF3N3C31H40 (1)

Stoich.:

AB3C3D31E40 (1)

Weight, g/mol:

497.304228

ΔHf, kcal/mol:

-128.05

Dipole, Da:

5.91

IP(EA), eV:

 -8.63(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(F)(F)F)CN2CCC3=C(C2)C=CC(=C3)C/C(=C/CC(C)N=O)/N4CCC(CC4)(C)C

DOS

IR

Vibrations