Geometry & MOs

Info

ID:	277024
PubChem CID:	103826312
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	0.91
IP(EA), eV:	-9.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzofuran-3-ylmethylamino)-3,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNCC2=COC3=CC=CC=C32

DOS

IR

Vibrations