Geometry & MOs

Info

ID:	260058
PubChem CID:	103179476
Reduced:	NSO2C11H25 (1)
Stoich.:	ABC2D11E25 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-110.39
Dipole, Da:	3.56
IP(EA), eV:	-8.49(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNCCOCCCOC)SC

DOS

IR

Vibrations