Geometry & MOs

Info

ID:	27676
PubChem CID:	823006
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	25.28
Dipole, Da:	4.59
IP(EA), eV:	-9.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R)-12,12-dimethoxy-13-methyl-11-oxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene-14,14-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@@]1(C([C@@H](C1(C#N)C#N)C2=CC=C(C=C2)Cl)(C)C)OC

DOS

IR

Vibrations