Geometry & MOs

Info

ID:	288443
PubChem CID:	104316680
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	7.39
IP(EA), eV:	-9.2(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC2CC2)O

DOS

IR

Vibrations