Geometry & MOs

Info

ID:	269621
PubChem CID:	103618219
Reduced:	ClFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	379.08954
ΔH_f, kcal/mol:	-156.38
Dipole, Da:	4.0
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-bromo-4-cyanoanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations