Geometry & MOs

Info

ID:	434897
PubChem CID:	135175932
Reduced:	SN2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	8.52
Dipole, Da:	2.3
IP(EA), eV:	-8.8(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-oxo-N-phenylhept-3-enamide

Drug info:

PubChemData

Smile

CC(C)N1CCC2C1CN2S

DOS

IR

Vibrations