Geometry & MOs

Info

ID:	261579
PubChem CID:	103241413
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	197.080041
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.7
IP(EA), eV:	-8.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC(=O)NC(=N1)C2CC2

DOS

IR

Vibrations