Geometry & MOs

Info

ID:	209580
PubChem CID:	80689365
Reduced:	ClO2N5C11H12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	50.63
Dipole, Da:	4.18
IP(EA), eV:	-9.55(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations