Geometry & MOs

Info

ID:	288450
PubChem CID:	104316791
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	2.33
IP(EA), eV:	-8.67(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2-methylpropylamino)methyl]-2-nitrophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CNCC1=CC(=CC=C1)OCCC(C)O

DOS

IR

Vibrations