Geometry & MOs

Info

ID:	364819
PubChem CID:	127316227
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	4.22
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations