Geometry & MOs

Info

ID:	288441
PubChem CID:	104316662
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	1.1
IP(EA), eV:	-8.54(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OCCC(C)O)NCC

DOS

IR

Vibrations