Geometry & MOs

Info

ID:	186056
PubChem CID:	77384830
Reduced:	ClNO5C22H32 (1)
Stoich.:	ABC5D22E32 (1)
Weight, g/mol:	364.200965
ΔH_f, kcal/mol:	-252.48
Dipole, Da:	4.23
IP(EA), eV:	-9.18(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbutanoic acid;5-fluoro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)COC(C1CCCN(C1)C(=O)OC(C)(C)C)C2=C(C(=CC=C2)Cl)C

DOS

IR

Vibrations