Geometry & MOs

Info

ID:	220836
PubChem CID:	85240155
Reduced:	O2N3H11C16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	50.5
Dipole, Da:	7.43
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(hydroxymethyl)-3,6-dimethylanilino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)C3=NN(C=C23)C4=CC=C(C=C4)O)C=C1

DOS

IR

Vibrations