Geometry & MOs

Info

ID:	387929
PubChem CID:	134987436
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	146.021594
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	4.11
IP(EA), eV:	-9.74(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[chloro-(dideuterioamino)methylidene]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C1CCCC2(CCC[C@@H]2O)C(=O)CC1

DOS

IR

Vibrations