Geometry & MOs

Info

ID:	305983
PubChem CID:	124996718
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	5.01
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-cycloheptylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC[C@H]2C3=CC=NN3

DOS

IR

Vibrations