Geometry & MOs

Info

ID:	179284
PubChem CID:	76461397
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	483.98202
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	2.86
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations