Geometry & MOs

Info

ID:	75296
PubChem CID:	48423297
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	2.96
IP(EA), eV:	-8.13(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCCN1CCN(CC1)C2=CC=C(C=C2)OC)OCC3CC3

DOS

IR

Vibrations