Geometry & MOs

Info

ID:	233581
PubChem CID:	91145509
Reduced:	O2F3N4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	4.24
IP(EA), eV:	-8.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-propylaniline

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=CC(=N)N(CCC3)C(C)C(C4=CC(=C(C(=C4)F)F)F)O)OC

DOS

IR

Vibrations