Geometry & MOs

Info

ID:

173381

PubChem CID:

75631777

Reduced:

F3N3C14H14 (1)

Stoich.:

A3B3C14D14 (1)

Weight, g/mol:

490.21626

ΔHf, kcal/mol:

-97.31

Dipole, Da:

1.02

IP(EA), eV:

 -9.03(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[[[5-(aminomethyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbonyl]amino]methyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3C(NNC3N)C(F)(F)F

DOS

IR

Vibrations