Geometry & MOs

Info

ID:	251201
PubChem CID:	103102139
Reduced:	BrFN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	2.38
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations