Geometry & MOs

Info

ID:	387753
PubChem CID:	134986738
Reduced:	ClNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	2.52
IP(EA), eV:	-9.74(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-1,8,9-trimethyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

CCCC(=O)C1[C@@H]2CCC(=O)N2CC[C@@H]1Cl

DOS

IR

Vibrations