Geometry & MOs

Info

ID:	231278
PubChem CID:	87573338
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	222.09235
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	4.35
IP(EA), eV:	-9.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-trimethoxysilylbutanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C=O)C2=CC(=C(C=C2)CBr)Cl

DOS

IR

Vibrations