Geometry & MOs

Info

ID:	271467
PubChem CID:	103680224
Reduced:	BrNOSC10H16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	293.10612
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	3.34
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations