Geometry & MOs

Info

ID:	234306
PubChem CID:	92298141
Reduced:	O2H3Cl5C8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	4.31
IP(EA), eV:	-9.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl (Z)-3-[(5-chloropyridin-2-yl)amino]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C(=O)[C@@]2([C@]1(C(=C2Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations