Geometry & MOs

Info

ID:	53052
PubChem CID:	14709475
Reduced:	NPO5C11H20 (1)
Stoich.:	ABC5D11E20 (1)
Weight, g/mol:	128.998141
ΔH_f, kcal/mol:	-266.97
Dipole, Da:	7.75
IP(EA), eV:	-10.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyanobut-2-enoyl chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(C#N)C(C)P(=O)(OCC)OCC

DOS

IR

Vibrations