Geometry & MOs

Info

ID:	201030
PubChem CID:	79477781
Reduced:	FN2S2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	8.83
Dipole, Da:	5.7
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)CC2=C(C=CC(=C2)C(=S)N)F

DOS

IR

Vibrations