Geometry & MOs

Info

ID:	50509
PubChem CID:	12013051
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	1.68
IP(EA), eV:	-10.08(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,7R)-1,3,5-trimethyl-7-phenyl-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@]2([C@](O1)(OC(=N2)C)C)C

DOS

IR

Vibrations