Geometry & MOs

Info

ID:	27678
PubChem CID:	823014
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	263.105862
ΔH_f, kcal/mol:	54.58
Dipole, Da:	4.89
IP(EA), eV:	-10.61(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-6-methoxy-2-phenylcyclohex-4-ene-1,1,2-tricarbonitrile

Drug info:

PubChemData

Smile

CO[C@H]1C=CC[C@@H](C1(C#N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations