Geometry & MOs

Info

ID:	47784
PubChem CID:	10535264
Reduced:	N2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	20.45
Dipole, Da:	3.35
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,6R)-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

COC1=NOC(=C1)C2=CN=CC=C2

DOS

IR

Vibrations