Geometry & MOs

Info

ID:	395714
PubChem CID:	135026303
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	2.44
Dipole, Da:	4.79
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC12CC(N=C2C3=CC=CC=C3N)(C)C)C

DOS

IR

Vibrations