Geometry & MOs

Info

ID:	38135
PubChem CID:	8027368
Reduced:	FN2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	245.061229
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	5.17
IP(EA), eV:	-8.24(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,5-dichloro-N-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)CNC2=CC=C(C=C2)F

DOS

IR

Vibrations