Geometry & MOs

Info

ID:	208092
PubChem CID:	80494859
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	3.47
IP(EA), eV:	-9.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chloroanilino)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2(CCOCC2)CC1C(C3=NNN=C3)N

DOS

IR

Vibrations