Geometry & MOs

Info

ID:	341817
PubChem CID:	127264510
Reduced:	BrNF2C5H10 (1)
Stoich.:	ABC2D5E10 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-139.56
Dipole, Da:	1.69
IP(EA), eV:	-9.65(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-carbamoylpyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C(C1)(F)F)N.Br

DOS

IR

Vibrations