Geometry & MOs

Info

ID:	225420
PubChem CID:	85756831
Reduced:	N2S2O3C9H16 (1)
Stoich.:	A2B2C3D9E16 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-115.06
Dipole, Da:	4.6
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethylcyclohex-2-en-1-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

C1CNC(=S)OCCOCCOC(=S)NC1

DOS

IR

Vibrations