Geometry & MOs

Info

ID:	398739
PubChem CID:	135035160
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	331.095691
ΔH_f, kcal/mol:	47.15
Dipole, Da:	3.47
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S,16S)-13-ethenyl-12-nitro-11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene-15,15-dicarbonitrile

Drug info:

PubChemData

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CC1=C2[C@H]3[C@](C(CC3(C#N)C#N)C=C)(OC2=C(C=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations