Geometry & MOs

Info

ID:	263727
PubChem CID:	103393289
Reduced:	BrFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	2.17
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-(2-pyrazol-1-ylethylamino)cyclobutyl]carbamate

Drug info:

PubChemData

Smile

C1C(CC1NC(=O)OCC2=CC=CC=C2)NCC3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations