Geometry & MOs

Info

ID:	399398
PubChem CID:	135040087
Reduced:	O5H14C15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	3.99
IP(EA), eV:	-8.89(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N,2-dimethylanilino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC(=O)C=CC2=O)OC)OC

DOS

IR

Vibrations