Geometry & MOs

Info

ID:	399762
PubChem CID:	135042411
Reduced:	ClNOH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	3.43
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,8S,10S)-5-methyl-4,7-dioxotricyclo[6.2.2.01,6]dodec-5-ene-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C(C=C3)Cl)NC2=O

DOS

IR

Vibrations