Geometry & MOs

Info

ID:	289383
PubChem CID:	104348586
Reduced:	BrON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	265.15904
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	3.21
IP(EA), eV:	-8.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-amino-1-(2-fluorophenyl)ethyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CC=C1Br)N2CCC(C2)NC(=O)C)N

DOS

IR

Vibrations