Geometry & MOs

Info

ID:	282247
PubChem CID:	103920114
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	212.096106
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	5.98
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=CN(N=C1)C2=CC=CC=C2

DOS

IR

Vibrations