Geometry & MOs

Info

ID:	340795
PubChem CID:	127263230
Reduced:	N2O6C15H22 (1)
Stoich.:	A2B6C15D22 (1)
Weight, g/mol:	362.124464
ΔH_f, kcal/mol:	-169.47
Dipole, Da:	4.24
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)N)OC

DOS

IR

Vibrations