Geometry & MOs

Info

ID:	18238
PubChem CID:	539037
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	1.37
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)NC1=NON=C1NC(=O)C

DOS

IR

Vibrations