Geometry & MOs

Info

ID:	289605
PubChem CID:	104360086
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	416.89537
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)NCC1=CC(=CC2=C1OCC2)Br

DOS

IR

Vibrations