Geometry & MOs

Info

ID:	197715
PubChem CID:	78988595
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	4.54
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(oxolane-3-carbonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NCCOC2CCCC2

DOS

IR

Vibrations