Geometry & MOs

Info

ID:	427365
PubChem CID:	135157714
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	266.134051
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	1.38
IP(EA), eV:	-9.37(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methoxy-4-(oxan-4-yl)phenyl]propane-2-thiol

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(C)(C)C(=O)N2CCOCC2

DOS

IR

Vibrations