Geometry & MOs

Info

ID:	174749
PubChem CID:	75809774
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	334.156695
ΔH_f, kcal/mol:	-5.2
Dipole, Da:	2.71
IP(EA), eV:	-8.25(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-fluoro-4-nitroanilino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2OC)NC(=O)NCC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations