Geometry & MOs

Info

ID:	172019
PubChem CID:	75455226
Reduced:	ClNC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	316.05865
ΔH_f, kcal/mol:	43.08
Dipole, Da:	2.13
IP(EA), eV:	-9.08(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCC(CC#C)NC1CC(C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations