Geometry & MOs

Info

ID:	274140
PubChem CID:	103807297
Reduced:	FION2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	3.02
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclopropylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCN)C(=O)C1=C(C=C(C=C1)F)I

DOS

IR

Vibrations