Geometry & MOs

Info

ID:	27677
PubChem CID:	823011
Reduced:	N2O3H16C20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	5.11
Dipole, Da:	4.91
IP(EA), eV:	-8.95(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-2-methoxy-6-(4-nitrophenyl)cyclohex-3-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C(C2=C(C3=CC=CC4=C3C2=CC=C4)OC1(OC)OC)(C#N)C#N

DOS

IR

Vibrations