Geometry & MOs

Info

ID:	449372
PubChem CID:	135298054
Reduced:	ON8H28C31 (1)
Stoich.:	AB8C28D31 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	158.66
Dipole, Da:	10.63
IP(EA), eV:	-8.55(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations