Geometry & MOs

Info

ID:	263939
PubChem CID:	103408943
Reduced:	SO4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	3.38
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]methanamine

Drug info:

PubChemData

Smile

COCCOCCCSCC1(CC1)CC(=O)O

DOS

IR

Vibrations