Geometry & MOs

Info

ID:	264378
PubChem CID:	103458232
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	3.32
IP(EA), eV:	-9.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-3-ethyl-2-hydroxypentan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)C2=NC=CN=C2)O

DOS

IR

Vibrations