Geometry & MOs

Info

ID:	216689
PubChem CID:	85086614
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	80.34
Dipole, Da:	9.7
IP(EA), eV:	-8.61(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dioxo-6-(2,6,6-trimethylcyclohexen-1-yl)hex-5-enoate

Drug info:

PubChemData

Smile

C1CNC(=NC1)C2C=CC3=NC(=C4C=CC(=O)C=C4)NC3=C2

DOS

IR

Vibrations