Geometry & MOs

Info

ID:	289580
PubChem CID:	104359726
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	296.165541
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	4.22
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)(CN)N(CC)CC1=CC(=CC2=C1OCC2)Br

DOS

IR

Vibrations