Geometry & MOs

Info

ID:	184003
PubChem CID:	77101188
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	4.68
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[methyl-[(4-methylphenyl)methyl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(C1CCCCC1)C2CCCCC2)C(=O)O

DOS

IR

Vibrations