Geometry & MOs

Info

ID:	264320
PubChem CID:	103453919
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	2.61
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-hydroxyhexan-2-one

Drug info:

PubChemData

Smile

CCCC(C(=O)C1=CC(=CN=C1)OCCC)O

DOS

IR

Vibrations