Geometry & MOs

Info

ID:	289607
PubChem CID:	104360171
Reduced:	NBr2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	2.34
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations