Geometry & MOs

Info

ID:	276165
PubChem CID:	103821028
Reduced:	BrN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	3.39
IP(EA), eV:	-9.14(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-cyano-2-fluoroanilino)cyclobutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations