Geometry & MOs

Info

ID:	31117
PubChem CID:	854604
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	5.19
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,6R,7S)-6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1OC)OC=C(C2=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations