Geometry & MOs

Info

ID:	133784
PubChem CID:	51589084
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	10.45
Dipole, Da:	7.41
IP(EA), eV:	-9.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=CO2)C3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations