Geometry & MOs

Info

ID:	293631
PubChem CID:	117394651
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	256.113316
ΔH_f, kcal/mol:	60.03
Dipole, Da:	2.54
IP(EA), eV:	-8.11(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC=CC=C2N3CCCCC3)N

DOS

IR

Vibrations