Geometry & MOs

Info

ID:	285557
PubChem CID:	104112699
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-179.08
Dipole, Da:	6.99
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-cyanoethyl(propan-2-yl)amino]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=COC(=N1)NCC2(CCC2)CC(=O)O

DOS

IR

Vibrations