Geometry & MOs

Info

ID:	372329
PubChem CID:	131296261
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	229.147807
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	4.85
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-3-methyl-1-piperidin-4-ylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC(C2)C(=O)OC)N

DOS

IR

Vibrations