Geometry & MOs

Info

ID:	209895
PubChem CID:	80736525
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	295.084242
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	7.73
IP(EA), eV:	-8.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)sulfanyl-5-propoxyaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=C(C=CC(=N2)N)[N+](=O)[O-])OC

DOS

IR

Vibrations