Geometry & MOs

Info

ID:	406911
PubChem CID:	135078905
Reduced:	NOH21C23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	63.75
Dipole, Da:	3.63
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-1-(4-methylphenyl)-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC(=NCC1=CC=CC=C1)C2=CC(=CC=C2)O/C=C\C3=CC=CC=C3

DOS

IR

Vibrations