Geometry & MOs

Info

ID:	430364
PubChem CID:	135170428
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	470.205301
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	3.16
IP(EA), eV:	-9.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenylimidazole;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C1(C)C)C=C(C=C2)C3COS(=O)(=O)C3

DOS

IR

Vibrations