Geometry & MOs

Info

ID:	355108
PubChem CID:	127288036
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	5.66
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)[C@H]3CCC(=O)N3)OCCO2

DOS

IR

Vibrations