Geometry & MOs

Info

ID:	271465
PubChem CID:	103680219
Reduced:	BrNOSC9H14 (1)
Stoich.:	ABCDE9F14 (1)
Weight, g/mol:	279.09047
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	3.51
IP(EA), eV:	-8.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(CSC)NCC1=C(C=CO1)Br

DOS

IR

Vibrations