Geometry & MOs

Info

ID:	247613
PubChem CID:	103072404
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	232.082347
ΔH_f, kcal/mol:	35.1
Dipole, Da:	5.32
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1C=NC2=C(C1=O)C=NN2C

DOS

IR

Vibrations