Geometry & MOs

Info

ID:	286639
PubChem CID:	104179593
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	221.09644
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	1.62
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-6-fluoro-N-propylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NCC2=NC=C(C=C2)O

DOS

IR

Vibrations