Geometry & MOs

Info

ID:	351531
PubChem CID:	127280419
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	1.3
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations