Geometry & MOs

Info

ID:	45772
PubChem CID:	10517469
Reduced:	N2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	118.83
Dipole, Da:	6.56
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-6,10,10-trimethyl-1-phenyl-3,11-dioxabicyclo[7.2.0]undecan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CN4C=NC=N4

DOS

IR

Vibrations