Geometry & MOs

Info

ID:	386079
PubChem CID:	134980715
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	292.193949
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	3.7
IP(EA), eV:	-9.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-2-phenyl-4,6-di(propan-2-yl)cyclohex-3-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H](C1)[C@@H]2COC(O2)(C)C)[N+](=O)[O-])C

DOS

IR

Vibrations