Geometry & MOs

Info

ID:	45782
PubChem CID:	10517605
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	66.5
Dipole, Da:	7.16
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC=CC=C13)NN/C(=C\4/C=CC=CC4=O)/N2

DOS

IR

Vibrations