Geometry & MOs

Info

ID:	434872
PubChem CID:	135175881
Reduced:	NO3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-248.6
Dipole, Da:	4.33
IP(EA), eV:	-9.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-cyanoprop-2-enoyl]-[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCN([C@@H](C)C(=O)O/C=C/C(=O)N([C@@H](C)C(=O)O)C(C)C)C(=O)C=C

DOS

IR

Vibrations