Geometry & MOs

Info

ID:	398989
PubChem CID:	135036792
Reduced:	O6C7H12 (1)
Stoich.:	A6B7C12 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-231.96
Dipole, Da:	2.5
IP(EA), eV:	-10.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-2-methoxy-3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

Drug info:

PubChemData

Smile

COC(C(C=O)O)OC(CO)C=O

DOS

IR

Vibrations