Geometry & MOs

Info

ID:	440705
PubChem CID:	135231053
Reduced:	N3O6C38H57 (1)
Stoich.:	A3B6C38D57 (1)
Weight, g/mol:	203.132157
ΔH_f, kcal/mol:	-235.62
Dipole, Da:	5.04
IP(EA), eV:	-9.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-fluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCCOC(C)(C)CCOC(C)(C)CC3=CN(N=N3)CC=C

DOS

IR

Vibrations