Geometry & MOs

Info

ID:	404835
PubChem CID:	135071383
Reduced:	NO5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	434.07603
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	5.26
IP(EA), eV:	-9.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 2-O,2-O-dimethyl 1-bromo-4-methyl-6-trimethylsilylhex-5-yne-1,2,2-tricarboxylate

Drug info:

PubChemData

Smile

CCC#CCC(=O)N(CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations