Geometry & MOs

Info

ID:	348462
PubChem CID:	127273573
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	4.57
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)NC(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations