Geometry & MOs

Info

ID:	211668
PubChem CID:	81049341
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	3.33
IP(EA), eV:	-10.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-tert-butyl-4-methyl-1-benzofuran-3-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations