Geometry & MOs

Info

ID:	184001
PubChem CID:	77101186
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	8.71
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(4-hydroxy-N-methylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN1CCC(CC1)C(=O)N)C(=O)O

DOS

IR

Vibrations