Geometry & MOs

Info

ID:	303040
PubChem CID:	124489135
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	2.71
IP(EA), eV:	-9.03(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C(=O)[C@@H]2COC3=CC=CC=C23

DOS

IR

Vibrations