Geometry & MOs

Info

ID:	289584
PubChem CID:	104359806
Reduced:	BrClNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	326.998447
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	5.45
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations