Geometry & MOs

Info

ID:	289594
PubChem CID:	104359901
Reduced:	BrFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	5.56
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations