Geometry & MOs

Info

ID:	221019
PubChem CID:	85248227
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	259.102855
ΔH_f, kcal/mol:	-42.42
Dipole, Da:	2.42
IP(EA), eV:	-9.21(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-1-(7-trimethylsilylhept-4-en-2,6-diynyl)azetidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC1(C(O1)C2=CC=C(C=C2)C)C3=NC(CO3)(C)C

DOS

IR

Vibrations