Geometry & MOs

Info

ID:	26007
PubChem CID:	635588
Reduced:	N4O6C35H44 (1)
Stoich.:	A4B6C35D44 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-204.77
Dipole, Da:	9.85
IP(EA), eV:	-8.57(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-hydroxy-4,4,5-trimethylfuran-2-yl)methylidene]-4,4-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C(NC1=O)CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4CC)C)N3)C)CCC(=O)OC)CCC(=O)OC)C)C

DOS

IR

Vibrations