Geometry & MOs

Info

ID:	288451
PubChem CID:	104316815
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	6.58
IP(EA), eV:	-9.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CNCC1=CC(=C(C=C1)[N+](=O)[O-])OCCC(C)O

DOS

IR

Vibrations