Geometry & MOs

Info

ID:	263649
PubChem CID:	103386533
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	234.061612
ΔH_f, kcal/mol:	40.85
Dipole, Da:	4.45
IP(EA), eV:	-8.18(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=CN=C2NCC3(CCCC3)CN

DOS

IR

Vibrations