Geometry & MOs

Info

ID:	281427
PubChem CID:	103913859
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-167.84
Dipole, Da:	6.29
IP(EA), eV:	-9.15(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(CNC1CCCC1S(=O)(=O)C)O

DOS

IR

Vibrations