Geometry & MOs

Info

ID:	407645
PubChem CID:	135080395
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	6.65
Dipole, Da:	2.57
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-3-cyclohexyloxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)N[C@H](CO)C2=CC=CC=C2)C

DOS

IR

Vibrations