Geometry & MOs

Info

ID:	289586
PubChem CID:	104359857
Reduced:	BrNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	321.01645
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	4.05
IP(EA), eV:	-8.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=CC(=CC3=C2OCC3)Br)C

DOS

IR

Vibrations