Geometry & MOs

Info

ID:	290729
PubChem CID:	109875070
Reduced:	BrNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	5.72
IP(EA), eV:	-9.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-hydroxycyclohexyl)-methylamino]propanoate

Drug info:

PubChemData

Smile

CN(CC(C1CC1)O)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations