Geometry & MOs

Info

ID:	232650
PubChem CID:	87576634
Reduced:	BrClSiO2N5C21H29 (1)
Stoich.:	ABCD2E5F21G29 (1)
Weight, g/mol:	190.084124
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	5.3
IP(EA), eV:	-7.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methoxypropan-2-yloxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1CN2CC(C3=C2N=C(N=C3Cl)N)C(C)(C)O[Si]C(C)(C)C)Br)OC

DOS

IR

Vibrations