Geometry & MOs

Info

ID:	399921
PubChem CID:	135043818
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	5.17
IP(EA), eV:	-10.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(cyclohexylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C#N)O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations