Geometry & MOs

Info

ID:	198878
PubChem CID:	79165565
Reduced:	N2S2O3C12H18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	10.46
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC2CN(CCO2)C)CC(=O)O

DOS

IR

Vibrations