Geometry & MOs

Info

ID:	261712
PubChem CID:	103246864
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-164.37
Dipole, Da:	7.83
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-4-[2-(3-methylbutoxy)ethylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CCOCCNCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations