Geometry & MOs

Info

ID:	158903
PubChem CID:	57244171
Reduced:	NO4C5H11 (1)
Stoich.:	AB4C5D11 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-191.8
Dipole, Da:	2.6
IP(EA), eV:	-9.94(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,5-ditert-butyl-4-hydroxyanilino)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1C(C(C(N1)C(O)O)O)O

DOS

IR

Vibrations