Geometry & MOs

Info

ID:	147912
PubChem CID:	53787572
Reduced:	ClOF3N3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-127.3
Dipole, Da:	8.56
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[[4-(1,3-dioxol-2-yl)phenyl]methyl]-4-hydroxy-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations