Geometry & MOs

Info

ID:	269607
PubChem CID:	103618181
Reduced:	ClFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	390.07545
ΔH_f, kcal/mol:	-154.86
Dipole, Da:	3.43
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-bromo-4,6-difluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations