Geometry & MOs

Info

ID:	378138
PubChem CID:	134224212
Reduced:	NC30H33 (1)
Stoich.:	AB30C33 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	77.06
Dipole, Da:	3.98
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dioxocyclohexyl)ethyl 3-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C(=C)C3=C(C(=C4CC(CC(C4=C3C)C)(C)C(=C)CC#N)C)C(=C)C2=CC=C1

DOS

IR

Vibrations