Geometry & MOs

Info

ID:	289595
PubChem CID:	104359904
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	4.02
IP(EA), eV:	-8.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NCC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations