Geometry & MOs

Info

ID:	388319
PubChem CID:	134988773
Reduced:	IN3O3H4C10 (1)
Stoich.:	AB3C3D4E10 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	73.62
Dipole, Da:	5.73
IP(EA), eV:	-10.02(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-ethoxy-2-methyl-2-(2-methylprop-1-enyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C(N2C=C1)C(=O)C#N)I)[N+](=O)[O-]

DOS

IR

Vibrations