Geometry & MOs

Info

ID:	410919
PubChem CID:	135083720
Reduced:	ON2Cl3H3C10 (1)
Stoich.:	AB2C3D3E10 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	46.18
Dipole, Da:	2.35
IP(EA), eV:	-9.52(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-methoxybut-2-ynoate

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1Cl)Cl)N=C(OC=C2Cl)C#N

DOS

IR

Vibrations