Geometry & MOs

Info

ID:	197188
PubChem CID:	78934798
Reduced:	BrSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	222.153227
ΔH_f, kcal/mol:	64.98
Dipole, Da:	1.58
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-fluoro-4-(3-methylpyrrolidin-1-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)N(CC2=CC=CS2)C3CC3)Br)N

DOS

IR

Vibrations