Geometry & MOs

Info

ID:	275812
PubChem CID:	103818035
Reduced:	BrNO2F3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	323.200905
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	5.46
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(3-fluoro-4-pyrrolidin-1-ylanilino)ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=C(C=CC(=C2)Br)O)F)OC(F)F

DOS

IR

Vibrations