Geometry & MOs

Info

ID:	404833
PubChem CID:	135071381
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-216.09
Dipole, Da:	3.61
IP(EA), eV:	-8.79(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-phenylbut-3-enylideneamino] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)N(C)C1=CC=C(C=C1)C)C(=O)OCC

DOS

IR

Vibrations