Geometry & MOs

Info

ID:	133816
PubChem CID:	51593345
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	4.38
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)[C@H](CN3CCN(CC3)C4=NC=CC=N4)O

DOS

IR

Vibrations