Geometry & MOs

Info

ID:	311101
PubChem CID:	126589428
Reduced:	FN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	5.46
IP(EA), eV:	-8.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C2C3=C1CCCC3=C4CN5C(C(=C(C=C5C4=N2)CO)COC=C)O)F

DOS

IR

Vibrations