Geometry & MOs

Info

ID:	281984
PubChem CID:	103914634
Reduced:	N2O2F3C12H23 (1)
Stoich.:	A2B2C3D12E23 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-268.46
Dipole, Da:	6.1
IP(EA), eV:	-9.21(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-2-ol

Drug info:

PubChemData

Smile

COCC(CCNC1CCN(CC1)CC(F)(F)F)O

DOS

IR

Vibrations