Geometry & MOs

Info

ID:	173148
PubChem CID:	75603865
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	4.42
IP(EA), eV:	-9.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-oxo-1-(5-phenylpenta-2,4-diynyl)azetidine-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations