Geometry & MOs

Info

ID:	211678
PubChem CID:	81049453
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	225.09652
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	7.5
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=C(C=C1)OC)Br)C2CCCNC2

DOS

IR

Vibrations