Geometry & MOs

Info

ID:	355633
PubChem CID:	127289391
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	5.31
IP(EA), eV:	-9.06(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations