Geometry & MOs

Info

ID:

311190

PubChem CID:

126589847

Reduced:

FN2O4C36H45 (1)

Stoich.:

AB2C4D36E45 (1)

Weight, g/mol:

422.15689

ΔHf, kcal/mol:

-199.13

Dipole, Da:

7.2

IP(EA), eV:

 -8.28(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-bromo-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CC[C@H]3CCCC[C@H]3C2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations