Geometry & MOs

Info

ID:	176343
PubChem CID:	76035199
Reduced:	FO2N5H30C31 (1)
Stoich.:	AB2C5D30E31 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	5.91
Dipole, Da:	4.48
IP(EA), eV:	-9.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-(2-propan-2-ylphenyl)ethenyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)C1CC2=NC3=NNC(=C3C(=C2C(=O)C1)C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(=O)NCC6CC6

DOS

IR

Vibrations