Geometry & MOs

Info

ID:	391394
PubChem CID:	135004706
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	4.17
IP(EA), eV:	-9.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-5-nitro-3H-1-benzofuran-2-yl)methyl]-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC(=O)C[C@@]2(C1)C(COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations