Geometry & MOs

Info

ID:	437316
PubChem CID:	135223326
Reduced:	BrFN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	296.125988
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	3.14
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-bis(methoxymethoxy)-5-prop-1-en-2-ylbenzoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CCCF)Br

DOS

IR

Vibrations