Geometry & MOs

Info

ID:	229762
PubChem CID:	87568848
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	81.68
Dipole, Da:	5.35
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N/O)/C=C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3C(=C)C(=C)C4C#N)C

DOS

IR

Vibrations