Geometry & MOs

Info

ID:	275794
PubChem CID:	103817808
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	316.123463
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	2.41
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)NCC3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations