Geometry & MOs

Info

ID:	267962
PubChem CID:	103591292
Reduced:	FO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	213.098749
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	5.87
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-5-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CC1CNC(CN1C2=C(C=C(C(=C2)C)F)[N+](=O)[O-])C

DOS

IR

Vibrations