Geometry & MOs

Info

ID:	258373
PubChem CID:	103153286
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-198.63
Dipole, Da:	3.49
IP(EA), eV:	-9.46(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2E)-hexa-2,4-dienoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCC1=CC=CO1

DOS

IR

Vibrations