Geometry & MOs

Info

ID:	286972
PubChem CID:	104223745
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	283.1606
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	7.91
IP(EA), eV:	-8.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1CN(CCN1C)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations