Geometry & MOs

Info

ID:	310473
PubChem CID:	126580661
Reduced:	ClNO3C12H24 (1)
Stoich.:	ABC3D12E24 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	4.18
IP(EA), eV:	-9.92(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(E)-3-methoxy-3-oxoprop-1-enyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCCOCCOCCCCCCCl

DOS

IR

Vibrations