Geometry & MOs

Info

ID:	288439
PubChem CID:	104316620
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-91.79
Dipole, Da:	3.37
IP(EA), eV:	-9.33(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCNCC1=CC(=C(C=C1)OCCC(C)O)[N+](=O)[O-]

DOS

IR

Vibrations