Geometry & MOs

Info

ID:	259907
PubChem CID:	103177051
Reduced:	NO7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-191.43
Dipole, Da:	5.22
IP(EA), eV:	-10.15(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethoxy]-1-(4-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations