Geometry & MOs

Info

ID:	389432
PubChem CID:	134992880
Reduced:	INO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	4.72
IP(EA), eV:	-9.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-9-ethoxy-6-methyl-5,10-dioxatetracyclo[4.4.2.01,7.04,7]dodecan-3-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C(COC2=O)CI

DOS

IR

Vibrations