Geometry & MOs

Info

ID:	291695
PubChem CID:	113459824
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	295.05718
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	2.32
IP(EA), eV:	-8.36(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-bromo-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(OC2=C(C(=CC(=C12)C)C)C)CNCC

DOS

IR

Vibrations