Geometry & MOs

Info

ID:	289585
PubChem CID:	104359807
Reduced:	NOCl3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	331.05718
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	6.21
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,4-dimethylaniline

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNC3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations