Geometry & MOs

Info

ID:	412812
PubChem CID:	135085741
Reduced:	NSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	5.57
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-cyclohexylpentanedioate

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C#N)OCC(=O)C

DOS

IR

Vibrations