Geometry & MOs

Info

ID:	179285
PubChem CID:	76461398
Reduced:	Br2N2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	483.98202
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	2.4
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3,5-dibromo-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=C(C(=CC(=C1)Br)Br)OCC2=NC(=C(N=C2C)C)C

DOS

IR

Vibrations