Geometry & MOs

Info

ID:	202505
PubChem CID:	79679364
Reduced:	BrFSN3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	11.62
Dipole, Da:	6.11
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylpyrrolidin-1-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)SCC3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations