Geometry & MOs

Info

ID:	444244
PubChem CID:	135261845
Reduced:	NSF2O6H23C26 (1)
Stoich.:	ABC2D6E23F26 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-271.39
Dipole, Da:	9.22
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations