Geometry & MOs

Info

ID:	393893
PubChem CID:	135021920
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	12.62
Dipole, Da:	6.26
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethyl-10-oxo-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl) (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=CC3=C(C=C21)N=NN3CC4=CC=CC=C4

DOS

IR

Vibrations