Geometry & MOs

Info

ID:	261480
PubChem CID:	103235625
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	9.84
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dimethylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=CC=C(C=C1)C#N)/C(=O)O

DOS

IR

Vibrations