Geometry & MOs

Info

ID:	340398
PubChem CID:	127262409
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	2.06
IP(EA), eV:	-9.82(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2,3-dimethylcycloheptan-1-one

Drug info:

PubChemData

Smile

CCC(COC(=O)N)OC

DOS

IR

Vibrations