Geometry & MOs

Info

ID:	280871
PubChem CID:	103851692
Reduced:	SN4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	322.112682
ΔH_f, kcal/mol:	33.01
Dipole, Da:	4.41
IP(EA), eV:	-8.48(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-thiomorpholin-4-ylethanamine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNCCN2CCSCC2)C

DOS

IR

Vibrations