Geometry & MOs

Info

ID:	261621
PubChem CID:	103242416
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	3.86
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(4-methylpentylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CCCNCC(=CC(=O)O)C

DOS

IR

Vibrations