Geometry & MOs

Info

ID:	385888
PubChem CID:	134980244
Reduced:	CoN5O5C22H34 (1)
Stoich.:	AB5C5D22E34 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	8.13
IP(EA), eV:	-10.92(-3.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R)-2-phenylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC[C-]=C1)C(=O)C.C/C(=C(/N=O)\C)/NO.C/C(=C(/N=O)\C)/NO.C1=CC=NC=C1.[Co]

DOS

IR

Vibrations