Geometry & MOs

Info

ID:	427698
PubChem CID:	135161429
Reduced:	ClN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	17.48
Dipole, Da:	5.23
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl]methyl butanoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C(=NC=C2)Cl)N

DOS

IR

Vibrations