Geometry & MOs

Info

ID:	289384
PubChem CID:	104348619
Reduced:	FON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	3.99
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(CN)C2=CC=CC=C2F

DOS

IR

Vibrations