Geometry & MOs

Info

ID:	221569
PubChem CID:	85279945
Reduced:	ON2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	110.69
Dipole, Da:	2.24
IP(EA), eV:	-10.38(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl(prop-2-enyl)amino]prop-2-enal

Drug info:

PubChemData

Smile

CCOC(C)C(=CC#CC#N)C#CC#N

DOS

IR

Vibrations