Geometry & MOs

Info

ID:	355596
PubChem CID:	127289354
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	5.61
Dipole, Da:	6.12
IP(EA), eV:	-8.78(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations