Geometry & MOs

Info

ID:	411531
PubChem CID:	135084363
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	2.91
IP(EA), eV:	-9.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R)-1-methyl-5-phenylmethoxy-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)N=[N+]=[N-]

DOS

IR

Vibrations