Geometry & MOs

Info

ID:	26061
PubChem CID:	637552
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	3.3
IP(EA), eV:	-8.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@H]4C=C)O

DOS

IR

Vibrations