Geometry & MOs

Info

ID:	281511
PubChem CID:	103913974
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	4.85
IP(EA), eV:	-9.32(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC1CCCS(=O)(=O)C1)O

DOS

IR

Vibrations