Geometry & MOs

Info

ID:	201027
PubChem CID:	79476317
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	7.62
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)CCN2C=C(N=N2)C(=O)O

DOS

IR

Vibrations