Geometry & MOs

Info

ID:	227767
PubChem CID:	87562432
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	124.063663
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	2.43
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyanopent-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CN(CC3=C2C=C(S3)Cl)C=O

DOS

IR

Vibrations