Geometry & MOs

Info

ID:	433705
PubChem CID:	135173845
Reduced:	ON2H40C57 (1)
Stoich.:	AB2C40D57 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	221.59
Dipole, Da:	2.26
IP(EA), eV:	-7.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(OC2=C1C=CC3=C2C4=CC5=CC=CC=C5C=C4N3C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC2=CC=CC=C2C=C1)C=C

DOS

IR

Vibrations