Geometry & MOs

Info

ID:	221379
PubChem CID:	85272331
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	232.167459
ΔH_f, kcal/mol:	44.69
Dipole, Da:	5.18
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxy-4-methoxy-4,6-dimethyloxan-2-ol

Drug info:

PubChemData

Smile

CCOC=NC1=C(C=NN1CC=C(C)C)C#N

DOS

IR

Vibrations