Geometry & MOs

Info

ID:	283348
PubChem CID:	103976277
Reduced:	BrON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	3.44
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C1CCN(C1)CC2CC3=C(O2)C=CC(=C3)Br)N

DOS

IR

Vibrations