Geometry & MOs

Info

ID:	288444
PubChem CID:	104316689
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	2.62
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(ethylaminomethyl)-2-nitrophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C2=CC=CC=C2C=C1)CNC)O

DOS

IR

Vibrations