Geometry & MOs

Info

ID:	351577
PubChem CID:	127280469
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	6.87
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)C(C)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations