Geometry & MOs

Info

ID:	434550
PubChem CID:	135175172
Reduced:	ClSF2O3N5C29H34 (1)
Stoich.:	ABC2D3E5F29G34 (1)
Weight, g/mol:	247.214744
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	5.24
IP(EA), eV:	-9.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-N-methylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Cl)(F)F)C=N2

DOS

IR

Vibrations