Geometry & MOs

Info

ID:	208094
PubChem CID:	80495154
Reduced:	ON6C8H12 (1)
Stoich.:	AB6C8D12 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	86.03
Dipole, Da:	2.9
IP(EA), eV:	-9.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(butan-2-ylamino)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

CCCNCC1=NC(=NO1)C2=NNN=C2

DOS

IR

Vibrations