Geometry & MOs

Info

ID:	257019
PubChem CID:	103143108
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	307.085384
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	3.83
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methylsulfinyl]-5-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC(CC1COCCN1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations