Geometry & MOs

Info

ID:	28803
PubChem CID:	829745
Reduced:	ClON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	21.86
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations