Geometry & MOs

Info

ID:	269620
PubChem CID:	103618218
Reduced:	IN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	328.135384
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	2.49
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-chloro-2-fluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2CCN(CC2)C(=O)OC(C)(C)C)I

DOS

IR

Vibrations