Geometry & MOs

Info

ID:	352365
PubChem CID:	127283452
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	5.09
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations