Geometry & MOs

Info

ID:	189083
PubChem CID:	77813538
Reduced:	SO4N7C20H25 (1)
Stoich.:	AB4C7D20E25 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	4.35
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-methyloxane

Drug info:

PubChemData

Smile

CSC1=CN=C(C=C1)N(C2CCNC2)C3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations