Geometry & MOs

Info

ID:	321443
PubChem CID:	126666050
Reduced:	ClN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	10.09
Dipole, Da:	1.93
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-propan-2-ylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CC=C3OC)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations