Geometry & MOs

Info

ID:	199487
PubChem CID:	79254276
Reduced:	NOF3C12H22 (1)
Stoich.:	ABC3D12E22 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-251.11
Dipole, Da:	4.09
IP(EA), eV:	-9.32(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](CO)NC1CCCC(C1)C(F)(F)F

DOS

IR

Vibrations