Geometry & MOs

Info

ID:	271225
PubChem CID:	103648639
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	368.10994
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	1.29
IP(EA), eV:	-9.08(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-bromo-2-methylanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=CC(=CC=C2)CO

DOS

IR

Vibrations