Geometry & MOs

Info

ID:	289598
PubChem CID:	104359942
Reduced:	NOCl2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	339.00703
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	4.61
IP(EA), eV:	-8.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,6-difluoroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations