Geometry & MOs

Info

ID:	213992
PubChem CID:	81065629
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	4.42
IP(EA), eV:	-10.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=NO1)C

DOS

IR

Vibrations