Geometry & MOs

Info

ID:	364830
PubChem CID:	127316271
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	23.89
Dipole, Da:	4.78
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations