Geometry & MOs

Info

ID:	50442
PubChem CID:	12012979
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	1.73
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S)-1-hydroxyethyl]-2-methylcycloheptan-1-one

Drug info:

PubChemData

Smile

C[C@H]([C@@]1(CCCCCC1=O)C2=CC=CC=C2)O

DOS

IR

Vibrations