Geometry & MOs

Info

ID:	402740
PubChem CID:	135057090
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	3.15
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(2-methylphenyl)heptan-1-one

Drug info:

PubChemData

Smile

CC1(C[C@@H]([C@H]1CSC2=CC=CC=C2)O)C

DOS

IR

Vibrations