Geometry & MOs

Info

ID:	291694
PubChem CID:	113459746
Reduced:	BrNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	6.1
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(OC(=N1)C2=CC(=C(C=C2)C)Br)C(=O)O

DOS

IR

Vibrations