Geometry & MOs

Info

ID:	193853
PubChem CID:	78448500
Reduced:	SO2N4H8C11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	61.19
Dipole, Da:	5.73
IP(EA), eV:	-9.49(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butanoyl-5-imino-3-phenyl-2-piperidin-1-ylcyclopentene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C3C2=NC(=S)N(C3=O)N

DOS

IR

Vibrations