Geometry & MOs

Info

ID:	259139
PubChem CID:	103158342
Reduced:	BrFN2O4C12H14 (1)
Stoich.:	ABC2D4E12F14 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-198.66
Dipole, Da:	6.87
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(1-ethylcyclobutyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations