Geometry & MOs

Info

ID:	127871
PubChem CID:	51020354
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-64.3
Dipole, Da:	2.33
IP(EA), eV:	-9.98(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,10S)-4-methoxy-5,11,13-trimethyl-3,6-dioxo-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),4-diene-10-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)[C@H]2[C@H]3C[C@@H]([C@H]2[C@H]1O)C=C3

DOS

IR

Vibrations