Geometry & MOs

Info

ID:	342576
PubChem CID:	127265736
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	2.27
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-pyrazin-2-ylprop-1-enyl)phenoxy]propanoate

Drug info:

PubChemData

Smile

CC(=CC1=C(C(=C(C=C1)OC)OC)Cl)C2=NC=CN=C2

DOS

IR

Vibrations