Geometry & MOs

Info

ID:	208566
PubChem CID:	80545924
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-124.48
Dipole, Da:	1.76
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(2-chloroanilino)but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/COC1=C(C=C(C=C1)C(C)(C)C)C

DOS

IR

Vibrations