Geometry & MOs

Info

ID:	295577
PubChem CID:	117535025
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	7.2
IP(EA), eV:	-9.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-2,3-dione

Drug info:

PubChemData

Smile

CCCC1=NN2C(=C(N=C2C(C)C)C(=O)O)C=C1

DOS

IR

Vibrations