Geometry & MOs

Info

ID:	413735
PubChem CID:	135086685
Reduced:	NF3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-282.82
Dipole, Da:	2.27
IP(EA), eV:	-10.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-3-(furan-2-ylmethylidene)-2-oxopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC/C(=C\C2=CC(=CC=C2)C(F)(F)F)/C1=O

DOS

IR

Vibrations