Geometry & MOs

Info

ID:	209793
PubChem CID:	80723799
Reduced:	FOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	4.7
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-nitro-5-propoxyaniline

Drug info:

PubChemData

Smile

CCN(CC1=C(SC(=C1)C(=O)NN)C)C2=CC=CC=C2F

DOS

IR

Vibrations