Geometry & MOs

Info

ID:	288446
PubChem CID:	104316749
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	6.96
IP(EA), eV:	-9.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-methoxyethylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations