Geometry & MOs

Info

ID:	133696
PubChem CID:	51576489
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	432.17483
ΔH_f, kcal/mol:	-137.36
Dipole, Da:	4.15
IP(EA), eV:	-8.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)phenyl]-(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxocyclohexen-1-olate

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)N(C)C)C3=C(CC(CC3=O)(C)C)[O-])[O-])C

DOS

IR

Vibrations