Geometry & MOs

Info

ID:	131719
PubChem CID:	51251614
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	25.23
Dipole, Da:	2.79
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-2-pyrrol-1-ylfuran-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CN3

DOS

IR

Vibrations