Geometry & MOs

Info

ID:	55079
PubChem CID:	17389740
Reduced:	BrN2O8C15H19 (1)
Stoich.:	AB2C8D15E19 (1)
Weight, g/mol:	254.04186
ΔH_f, kcal/mol:	-306.45
Dipole, Da:	8.73
IP(EA), eV:	-8.22(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(pyrrolidin-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CC(NC1)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations