Geometry & MOs

Info

ID:	289631
PubChem CID:	104361808
Reduced:	ClO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	353.11028
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	6.17
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(C3=CC=CC=C3)C(=O)O)Cl

DOS

IR

Vibrations