Geometry & MOs

Info

ID:	405008
PubChem CID:	135072122
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	4.25
IP(EA), eV:	-8.41(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-chlorophenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)NC(=O)C)C(C)(C)C

DOS

IR

Vibrations