Geometry & MOs

Info

ID:	269608
PubChem CID:	103618184
Reduced:	BrF2N2O2C16H21 (1)
Stoich.:	AB2C2D2E16F21 (1)
Weight, g/mol:	372.08487
ΔH_f, kcal/mol:	-191.99
Dipole, Da:	2.36
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-bromo-2-fluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2Br)F)F

DOS

IR

Vibrations