Geometry & MOs

Info

ID:	279897
PubChem CID:	103845575
Reduced:	BrNO2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	261.165269
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	3.79
IP(EA), eV:	-9.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(C=CO1)Br)CO

DOS

IR

Vibrations