Geometry & MOs

Info

ID:	256741
PubChem CID:	103141022
Reduced:	BrSN2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	77.86
Dipole, Da:	4.02
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenoxy)methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)SC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations