Geometry & MOs

Info

ID:	275829
PubChem CID:	103818174
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	4.33
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-(methylcarbamoyl)anilino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CC=C1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations