Geometry & MOs

Info

ID:	410160
PubChem CID:	135082951
Reduced:	PN2H5C6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	69.45
Dipole, Da:	2.01
IP(EA), eV:	-8.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-2,3-dimethyl-4-propan-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC2=PC=CN2N=C1

DOS

IR

Vibrations