Geometry & MOs

Info

ID:

378597

PubChem CID:

134224689

Reduced:

FNOC14H20 (1)

Stoich.:

ABCD14E20 (1)

Weight, g/mol:

647.317078

ΔHf, kcal/mol:

-53.13

Dipole, Da:

2.53

IP(EA), eV:

-8.79(-0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[[(1R)-5-[[[(1R)-4,4-difluoro-1,3-dihydroisochromen-1-yl]methylamino]methyl]-3,4,8,9-tetrahydro-1H-furo[2,3-h]isochromen-1-yl]methyl]-1-[(9S)-9-(methylaminomethyl)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-2-yl]methanamine

Drug info:

PubChemData

Smile

C=CC1=C([C@H](OCC1)CNC2CCC2)C(=C)F

DOS

IR

Vibrations