Geometry & MOs

Info

ID:

88722

PubChem CID:

49956278

Reduced:

ClFNOC10H14 (1)

Stoich.:

ABCDE10F14 (1)

Weight, g/mol:

308.105346

ΔHf, kcal/mol:

-70.3

Dipole, Da:

7.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758778

Charge, e:

 -1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCCCCO)F.[Cl-]

DOS

IR

Vibrations