Geometry & MOs

Info

ID:	139812
PubChem CID:	52601534
Reduced:	FN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	331.165782
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	6.97
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(2-methylphenoxy)ethyl]-[2-(3-nitrophenoxy)ethyl]azanium

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)F)CCOC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations