Geometry & MOs

Info

ID:	194278
PubChem CID:	78509102
Reduced:	ClN3O5C10H10 (1)
Stoich.:	AB3C5D10E10 (1)
Weight, g/mol:	352.236208
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	6.93
IP(EA), eV:	-10.16(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[3-(3-ethoxycarbonylphenoxy)-2-hydroxypropyl]-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations