Geometry & MOs

Info

ID:	261994
PubChem CID:	103265018
Reduced:	BrNCl2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	367.00309
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	2.73
IP(EA), eV:	-8.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-3,3,3-trifluoropropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NCC(C(=O)OC)Br)Cl

DOS

IR

Vibrations