Geometry & MOs

Info

ID:	178857
PubChem CID:	76391577
Reduced:	OBr2N2H6C12 (1)
Stoich.:	AB2C2D6E12 (1)
Weight, g/mol:	334.141638
ΔH_f, kcal/mol:	54.69
Dipole, Da:	3.14
IP(EA), eV:	-10.04(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C(C(=CC(=O)C3=N2)Br)Br

DOS

IR

Vibrations