Geometry & MOs

Info

ID:	289591
PubChem CID:	104359895
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	3.82
IP(EA), eV:	-8.47(-0.21)
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',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations