Geometry & MOs

Info

ID:	386085
PubChem CID:	134980739
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	388.215078
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	4.79
IP(EA), eV:	-10.07(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10R)-16-tert-butyl-11,11-dimethyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]3C[C@H]([C@H]1C=C3)COC2=O

DOS

IR

Vibrations