Geometry & MOs

Info

ID:

313556

PubChem CID:

126615880

Reduced:

FN3O3C34H34 (1)

Stoich.:

AB3C3D34E34 (1)

Weight, g/mol:

471.252192

ΔHf, kcal/mol:

-108.22

Dipole, Da:

5.35

IP(EA), eV:

 -8.69(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[6-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4N)C)CC(=O)O)C5=CC6=C(C=C5)OCCC6

DOS

IR

Vibrations