Geometry & MOs

Info

ID:	290406
PubChem CID:	104466183
Reduced:	FN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	3.55
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NC(=O)C2=NC=C(C=C2)F

DOS

IR

Vibrations